CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues

Dundas, J., Ouyang, Z., Tseng, J., Binkowski, A., Turpaz, Y., Liang, J.·2006·Nucleic Acids Research

Cited by (1,000)

Items 201–300 of 1,000

  1. Selectivity of Fungal Sesquiterpene Synthases: Role of the Active Site's H-1α Loop in Catalysis
    Fernando López‐Gallego, Grayson T. Wawrzyn, Claudia Schmidt‐Dannert · 2010 · Applied and Environmental Microbiology
  2. Studies on flexibility and binding affinity of Asp25 of HIV-1 protease mutants
    Rituraj Purohit, Ramalingam Rajasekaran, Chinnappan Sudandiradoss, C. George Priya Doss, K. Ramanathan, Rao Sethumadhavan · 2008 · International Journal of Biological Macromolecules
  3. Two Intramolecular Isopeptide Bonds are Identified in the Crystal Structure of the Streptococcus gordonii SspB C-terminal Domain
    Nina Forsgren, Richard John Lamont, Karina Persson · 2010 · Journal of Molecular Biology
  4. A Compact Structure of Cytochrome c Trapped in a Lysine-Ligated State: Loop Refolding and Functional Implications of a Conformational Switch
    Jeanine F. Amacher, Fangfang Zhong, George P. Lisi, Michael Q. Zhu, Stephanie Leigh Alden, Kevin R. Hoke, Dean R. Madden, Ekaterina V. Pletneva · 2015 · Journal of the American Chemical Society
  5. Structure and Function of the Peanut Panallergen Ara h 8
    Barry K. Hurlburt, Lesa R. Offermann, Jane McBride, Karolina A. Majorek, Soheila June Maleki, M. Chruszcz · 2013 · Journal of Biological Chemistry
  6. Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology
    Federico Melaccio, Marı́a del Carmen Marı́n, Alessio Valentini, Fabio Montisci, Silvia Rinaldi, Marco Cherubini, Xuchun Yang, Yoshitaka Kato, Michael Stenrup, Yoelvis Orozco‐Gonzalez et al. · 2016 · Journal of Chemical Theory and Computation
  7. Exploring new galaxies: Perspectives on the discovery of novel PET-degrading enzymes
    Jan Mičan, Da’san M. M. Jaradat, Weidong Liu, Gert Weber, Stanislav Mazurenko, Uwe T. Bornscheuer, Jiřı́ Damborský, Ren Wei, David Bednář · 2023 · Applied Catalysis B: Environmental
  8. Sulforaphane Reverses the Expression of Various Tumor Suppressor Genes by Targeting DNMT3B and HDAC1 in Human Cervical Cancer Cells
    Munawwar Ali Khan, Madhumitha Kedhari Sundaram, Amina Hamza, Uzma Quraishi, Dian Gunasekera, Laveena Ramesh, Payal Goala, Usama ALAlami, Mohammad Zeeshan Ansari, Tahir Aziz Rizvi et al. · 2015 · Evidence-based Complementary and Alternative Medicine
  9. Biochemical and Structural Basis for Controlling Chemical Modularity in Fungal Polyketide Biosynthesis
    Jaclyn M. Winter, Duilio Cascio, David K. Dietrich, Michio Sato, Kenji Watanabe, Michael R. Sawaya, John C. Vederas, Yi Tang · 2015 · Journal of the American Chemical Society
  10. Herbal Lead as Ideal Bioactive Compounds Against Probable Drug Targets of Ebola Virus in Comparison with Known Chemical Analogue: A Computational Drug Discovery Perspective
    Anagha Shamsundar Setlur, Sujay Naik, Sinosh Skariyachan · 2016 · Interdisciplinary Sciences Computational Life Sciences
  11. Insect Juvenile Hormone Binding Protein Shows Ancestral Fold Present in Human Lipid-Binding Proteins
    R. Kolodziejczyk, Grzegorz Bujacz, Michał Jakób, Andrzej Ożyhar, Mariusz Jaskólski, Marian Kochman · 2008 · Journal of Molecular Biology
  12. Regio- and Stereospecificity of Filipin Hydroxylation Sites Revealed by Crystal Structures of Cytochrome P450 105P1 and 105D6 from Streptomyces avermitilis
    Lian‐Hua Xu, Shinya Fushinobu, Satoshi Takamatsu, Takayoshi Wakagi, Haruo Ikeda, Hirofumi Shoun · 2010 · Journal of Biological Chemistry
  13. Cancer Associated E17K Mutation Causes Rapid Conformational Drift in AKT1 Pleckstrin Homology (PH) Domain
    Ambuj Kumar, Rituraj Purohit · 2013 · PLoS ONE
  14. Visual Analysis of Biomolecular Cavities: State of the Art
    Michael Krone, Barbora Kozlíková, Norbert Lindow, Marc Baaden, Daniel Baum, Július Parulek, Hans‐Christian Hege, Ivan Viola · 2016 · Computer Graphics Forum
  15. Structure of the Major Apple Allergen Mal d 1
    Linda Ahammer, Sarina Grutsch, Anna Sophia Kamenik, Klaus Roman Liedl, Martin Tollinger · 2017 · Journal of Agricultural and Food Chemistry
  16. Molecular evolution and diversification of the SMXL gene family
    Taraka Ramji Moturu, Sravankumar Thula, Ravi Kumar Singh, Tomasz Nodzyński, Radka Svobodová Vařeková, Jiří Friml, Sibu Simon · 2018 · Journal of Experimental Botany
  17. Testosterone complex and non-steroidal ligands of human aromatase
    Debashis Ghosh, Chinaza Egbuta, Jessica Lo · 2018 · The Journal of Steroid Biochemistry and Molecular Biology
  18. Studies on Adaptability of Binding Residues Flap Region of TMC-114 Resistance HIV-1 Protease Mutants
    Rituraj Purohit, Vidya Rajendran, Rao Sethumadhavan · 2011 · Journal of Biomolecular Structure and Dynamics
  19. Methylglucosylation of aromatic amino and phenolic moieties of drug-like biosynthons by combinatorial biosynthesis
    Linan Xie, Liwen Zhang, Chen Wang, Xiaojing Wang, Ya-Ming Xu, Hefen Yu, Ping Wu, Shenglan Li, Lida Han, A. A. Leslie Gunatilaka et al. · 2018 · Proceedings of the National Academy of Sciences
  20. Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosis
    Syed Shah Hassan, Sandeep Tiwari, Luís Carlos Guimarães, Syed Babar Jamal, Edson Luiz Folador, Neha Barve, Siomar de Castro Soares, Sintia Silva de Almeida, Amjad Ali, Arshad Islam et al. · 2014 · BMC Genomics
  21. Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques
    Jerry Osagie Ebalunode, Zheng Ouyang, Jie Liang, Weifan Zheng · 2008 · Journal of Chemical Information and Modeling
  22. CB2 cannabinoid receptor agonist enantiomers HU-433 and HU-308: An inverse relationship between binding affinity and biological potency
    Reem Smoum, Saja Baraghithy, Mukesh Chourasia, Aviva Breuer, Naama Mussai, Malka Attar-Namdar, Natalya M. Kogan, Bitya Raphael-Mizrahi, Daniele Bolognini, Maria Grazia Cascio et al. · 2015 · Proceedings of the National Academy of Sciences
  23. High‐performance prediction of functional residues in proteins with machine learning and computed input features
    Srinivas Somarowthu, Huyuan Yang, David G. C. Hildebrand, Mary Jo Ondrechen · 2011 · Biopolymers
  24. Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study
    Adhip Rahman, Mohammad Tuhin Ali, Mohammad Mahfuz Ali Khan Shawan, Mohammed G. Sarwar, Mohammad A. K. Khan, Mohammad A. Halim · 2016 · SpringerPlus
  25. Structure-based virtual screening and molecular docking for the identification of potential multi-targeted inhibitors against breast cancer
    Zeeshan Yousuf, Kanzal Iman, Nouman Iftikhar, Muhammad Usman Mirza · 2017 · Breast Cancer Targets and Therapy
  26. Investigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics Simulations
    Nisha Amarnath Jonniya, Md Fulbabu Sk, Parimal Kar · 2019 · ACS Omega
  27. The role of conserved water molecules in the catalytic domain of protein kinases
    James D.R. Knight, Donald Hamelberg, James Andrew McCammon, Rashmi Kothary · 2009 · Proteins Structure Function and Bioinformatics
  28. Structural basis for the resilience of Darunavir (TMC114) resistance major flap mutations of HIV-1 protease
    Rituraj Purohit, Rao Sethumadhavan · 2009 · Interdisciplinary Sciences Computational Life Sciences
  29. Evidence of Colorectal Cancer-Associated Mutation in MCAK: A Computational Report
    Ambuj Kumar, Vidya Rajendran, Rao Sethumadhavan, Rituraj Purohit · 2013 · Cell Biochemistry and Biophysics
  30. Synthesis, Characterization, Modeling, and Antimicrobial Activity of FeIII, CoII, NiII, CuII, and ZnII Complexes Based on Tri‐substituted Imidazole Ligand
    Mohamed Ismael, Aly Abdou, A. M. Abdel‐Mawgoud · 2018 · Zeitschrift für anorganische und allgemeine Chemie
  31. Structural basis of the proinflammatory signaling complex mediated by TSLP
    Kenneth Verstraete, Loes van Schie, Laurens Vyncke, Yehudi Bloch, Jan H. Tavernier, Ewald Pauwels, Frank Peelman, Savvas N. Savvides · 2014 · Nature Structural & Molecular Biology
  32. Molecular Insight into the Synergism between the Minor Allele of Human Liver Peroxisomal Alanine:Glyoxylate Aminotransferase and the F152I Mutation
    Barbara Cellini, Riccardo Montioli, Alessandro Paiardini, Antonio Lorenzetto, Carla Borri Voltattorni · 2009 · Journal of Biological Chemistry
  33. Alpha shape and Delaunay triangulation in studies of protein-related interactions
    Weiqiang Zhou, Hong Yan · 2012 · Briefings in Bioinformatics
  34. Molecular-docking study of malaria drug target enzyme transketolase in Plasmodium falciparum 3D7 portends the novel approach to its treatment
    Md. Anayet Hasan, Md. Habibul Hasan Mazumder, Afrin Sultana Chowdhury, Amit Datta, Md. Arif Khan · 2015 · Source Code for Biology and Medicine
  35. Dipeptidyl peptidase IV Inhibitory activity of Terminalia arjuna attributes to its cardioprotective effects in experimental diabetes: In silico, in vitro and in vivo analyses
    Ipseeta Ray Mohanty, Manjusha K. Borde, Selvaa Kumar C, Ujwala M. Maheshwari · 2018 · Phytomedicine
  36. Crystal Structures of Bacterial Peptidoglycan Amidase AmpD and an Unprecedented Activation Mechanism
    César Carrasco‐López, Alzoray Rojas-Altuve, Weilie Zhang, Dušan Hesek, Mijoon Lee, Sophie Barbe, Isabelle André, Pilar Ferrer, Noella Silva-Martín, German Rafael Castro et al. · 2011 · Journal of Biological Chemistry
  37. Structural basis for amino-acid recognition and transmembrane signalling by tandem Per–Arnt–Sim (tandem PAS) chemoreceptor sensory domains
    Yu C. Liu, Mayra Alejandra Machuca, Simone A. Beckham, Menachem J. Gunzburg, Anna Roujeinikova · 2015 · Acta Crystallographica Section D Biological Crystallography
  38. Human plasma retinol-binding protein (RBP4) is also a fatty acid-binding protein
    Massimiliano Perduca, Stefania Nicolis, Barbara Mannucci, Monica Galliano, Hugo Luis Monaco · 2018 · Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids
  39. Identification of a Mechanical Rheostat in the Hydrophobic Core of Protein L
    David P. Sadler, Eva Petrik, Yukinori Taniguchi, James Pullen, Masaru Kawakami, Sheena E. Radford, David J. Brockwell · 2009 · Journal of Molecular Biology
  40. Der p 5 Crystal Structure Provides Insight into the Group 5 Dust Mite Allergens
    Geoffrey A. Mueller, Rajendrakumar A. Gosavi, Joseph M. Krahn, Lori L. Edwards, Matthew J. Cuneo, Jill Glesner, Anna Pomés, Martin D. Chapman, Robert E. London, Lars Christian Pedersen · 2010 · Journal of Biological Chemistry
  41. Structural Insight into the Expanded PCB-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution
    Pravindra Kumar, Mahmood Mohammadi, Jean-François Viger, Diane Barriault, Leticia Gómez-Gil, Lindsay D. Eltis, Jeffrey T. Bolin, Michel Sylvestre · 2010 · Journal of Molecular Biology
  42. A spectroscopic investigation and molecular docking study on the interaction of hen egg white lysozyme with liposomes of saturated and unsaturated phosphocholines probed by an anticancer drug ellipticine
    Anupam Das, Raina Thakur, Anuradha Dagar, Anjan Chakraborty · 2014 · Physical Chemistry Chemical Physics
  43. Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2)
    Simon E. Evans, Christopher Williams, Christopher J. Arthur, Eliza Płoskoń, Pakorn Wattana‐Amorn, Russell John Cox, John C. Crosby, Christine L. Willis, Thomas James Simpson, Matthew P. Crump · 2009 · Journal of Molecular Biology
  44. Genome-wide exploration of silicon (Si) transporter genes, Lsi1 and Lsi2 in plants; insights into Si-accumulation status/capacity of plants
    Recep Vatansever, İbrahim İlker Özyiğit, Ertuğrul Filiz, Nermin Gozukara · 2017 · BioMetals
  45. Evaluation of various inverse docking schemes in multiple targets identification
    Huifang Liu, Qing Shen, Jian Zhang, Wei Fu · 2010 · Journal of Molecular Graphics and Modelling
  46. The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization State
    Kaylyn M. Oshaben, Reza Salari, Darrell R. McCaslin, Lillian T. Chong, W. Seth Horne · 2012 · Biochemistry
  47. Exquisite ligand stereoselectivity of a Drosophila juvenile hormone receptor contrasts with its broad agonist repertoire
    Lenka Bittova, Pavel Jedlička, Martin Dračínský, Palani Kirubakaran, Jiřı́ Vondrášek, Robert Hanus, Marek Jindra · 2018 · Journal of Biological Chemistry
  48. Comparative analysis of glyoxalase pathway genes in Erianthus arundinaceus and commercial sugarcane hybrid under salinity and drought conditions
    V. M. Manoj, Pushpanathan Anunanthini, Swathik Clarancia Peter, Selvarajan Dharshini, Jayanarayanan Ashwin Narayan, Markandan Manickavasagam, Sathishkumar Ramalingam, Giriyapur Shivalingamurthy Suresha, Govind Hemaprabha, Bakshi Ram et al. · 2019 · BMC Genomics
  49. Characterization of a novel family VIII esterase EstM2 from soil metagenome capable of hydrolyzing estrogenic phthalates
    Jayita Sarkar, Arindam Dutta, Piyali Pal Chowdhury, Joydeep Chakraborty, Tapan K. Dutta · 2020 · Microbial Cell Factories
  50. Identification and molecular characterization of a novel flavin-free NADPH preferred azoreductase encoded by azoB in Pigmentiphaga kullae K24
    Huizhong Chen, Jinhui Feng, Hang‐Yeon Weon, Haiyan Xu, Carl E. Cerniglia · 2010 · BMC Biochemistry
  51. Structure and dynamics of de novo proteins from a designed superfamily of 4‐helix bundles
    Abigail Go, Seho Kim, Jean Baum, Michael H. Hecht · 2008 · Protein Science
  52. Structure-Based Design of Small-Molecule Protein–Protein Interaction Modulators: The Story so Far
    Federico Falchi, Fabiana Caporuscio, Maurizio Recanatini · 2014 · Future Medicinal Chemistry
  53. Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis
    Daniela Barretto Barbosa Trivella, C.V. dos Reis, Luís Maurício T. R. Lima, Débora Foguel, Igor Polikarpov · 2012 · Journal of Structural Biology
  54. Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40
    Muhammad Usman Mirza, Nazia Ikram · 2016 · International Journal of Molecular Sciences
  55. A molecular basis of human T cell receptor autoreactivity toward self-phospholipids
    Adam Shahine, Ildiko Van Rhijn, Tan‐Yun Cheng, Sarah K. Iwany, Stéphanie Gras, David Branch Moody, Jamie Rossjohn · 2017 · Science Immunology
  56. Investigation of interaction modes involved in alkaline phosphatase and organophosphorus pesticides via molecular simulations
    Yuhao Chu, Yuan Li, Yutang Wang, Bin Li, Ying‐Hua Zhang · 2018 · Food Chemistry
  57. In Silico Screening of Isocitrate Lyase for Novel Anti-Buruli Ulcer Natural Products Originating from Africa
    Samuel K. Kwofie, Bismark Dankwa, Emmanuel Odame, Francis Edem Agamah, Lady P. A. Doe, Joshua Teye, Odame Agyapong, Whelton A. Miller, Lydia Mosi, Michael D. Wilson · 2018 · Molecules
  58. In silico and in vitro studies of lupeol and iso-orientin as potential antidiabetic agents in a rat model
    Arif Malik, Uzma Jamil, Tariq Tahir Butt, Sulayman Waquar, Siew Hua Gan, Hassan Shafique, Tassadaq Hussain Jafar · 2019 · Drug Design Development and Therapy
  59. Homology Modeling of GLUT4, an Insulin Regulated Facilitated Glucose Transporter and Docking Studies with ATP and its Inhibitors
    S. Suma Mohan, J. Jefferson P. Perry, Ninu Poulose, Bipin Gopalakrishnan Nair, Anilkumar Gopalakrishnapillai · 2009 · Journal of Biomolecular Structure and Dynamics
  60. The lipoproteins of cyanobacterial photosystem II
    Robert D. Fagerlund, Julian J. Eaton‐Rye · 2011 · Journal of Photochemistry and Photobiology B Biology
  61. Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins
    M. Chruszcz, Maria Antonietta Ciardiello, Tomasz Osinski, Karolina A. Majorek, Ivana Giangrieco, Jose Font, Heimo Breiteneder, Konstantinos Thalassinos, Wladek Minor · 2013 · Molecular Immunology
  62. Structural Properties of PAS Domains from the KCNH Potassium Channels
    Ricardo Adaixo, Carol A. Harley, Artur F. Castro-Rodrigues, João Henrique Morais-Cabral · 2013 · PLoS ONE
  63. Structure of the catalytic domain of glucoamylase fromAspergillus niger
    Jaeyong Lee, Mark Paetzel · 2011 · Acta Crystallographica Section F Structural Biology and Crystallization Communications
  64. Methods for Predicting Protein–Ligand Binding Sites
    Zhong‐Ru Xie, Ming‐Jing Hwang · 2014 · Methods in molecular biology
  65. Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCF FBXO31 ubiquitin ligase
    Yunfeng Li, Kai Jin, Eric N. Bunker, Xiaojuan Zhang, Xuemei Luo, Xuedong Liu, Bing Hao · 2017 · Proceedings of the National Academy of Sciences
  66. The Crystal Structure of Cytochrome P460 ofNitrosomonas europaeaReveals a Novel Cytochrome Fold and Heme−Protein Cross-link,
    Arwen R. Pearson, Bradley O. Elmore, Cheng Long Yang, Joseph D. Ferrara, Alan B. Hooper, Carrie M. Wilmot · 2007 · Biochemistry
  67. BetaCavityWeb: a webserver for molecular voids and channels
    Kim, Jae-Kwan, Cho, Youngsong, Lee, Mokwon, Laskowski, Roman A., Ryu, Seong Eon, Sugihara, Kokichi, Kim, Deok-Soo · 2015 · Nucleic Acids Research
  68. Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations
    Tereza Hendrychova, Karel Berka, Veronika Navrátilová, Pavel Anzenbacher, Michal Otyepka · 2012 · Current Drug Metabolism
  69. Structural Signatures of Enzyme Binding Pockets from Order-Independent Surface Alignment: A Study of Metalloendopeptidase and NAD Binding Proteins
    Joe Dundas, Larisa Adamian, Jie Liang · 2010 · Journal of Molecular Biology
  70. Glutathione modulates the expression of heat shock proteins via the transcription factors BZIP10 and MYB21 in Arabidopsis
    Deepak Kumar, Sharmila Chattopadhyay · 2018 · Journal of Experimental Botany
  71. In silico screening of glycogen synthase kinase-3β targeted ligands against acetylcholinesterase and its probable relevance to Alzheimer’s disease
    Nasimudeen R. Jabir, Shazi Shakil, Shams S. M. Tabrez, Mohd Shahnawaz Khan, Md Tabish Rehman, Abdul Bakrudeen Ali Ahmed · 2020 · Journal of Biomolecular Structure and Dynamics
  72. Identification of Potential Inhibitors against Epstein–Barr Virus Nuclear Antigen 1 (EBNA1): An Insight from Docking and Molecular Dynamic Simulations
    Shweta Jakhmola, Nisha Amarnath Jonniya, Md Fulbabu Sk, Annu Rani, Parimal Kar, Hem Chandra Jha · 2021 · ACS Chemical Neuroscience
  73. Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16M
    Jangampalli Adi Pradeepkiran, Kranthi Kumar Konidala, Nanda Kumar Yellapu, Bhaskar · 2015 · Drug Design Development and Therapy
  74. Beyond structural genomics: computational approaches for the identification of ligand binding sites in protein structures
    Dario Ghersi, Roberto Sánchez · 2011 · Journal of Structural and Functional Genomics
  75. Engineering a model protein cavity to catalyze the Kemp elimination
    Matthew Merski, Brian K. Shoichet · 2012 · Proceedings of the National Academy of Sciences
  76. Structural Insights into the Recognition of Peroxisomal Targeting Signal 1 by Trypanosoma brucei Peroxin 5
    Parthasarathy Sampathkumar, Claudia Roach, Paul A.M. Michels, Wim G. J. Hol · 2008 · Journal of Molecular Biology
  77. Design, synthesis and biological evaluation of functionalized phthalimides: A new class of antimalarials and inhibitors of falcipain-2, a major hemoglobinase of malaria parasite
    Anil Kumar Singh, Vinoth Rajendran, Akansha Pant, Prahlad Chandra Ghosh, Neelu Singh, N. Latha, Sandeep Garg, Kailash Chand Pandey, Brajendra K. Singh, Brijesh Rathi · 2015 · Bioorganic & Medicinal Chemistry
  78. Computational Analysis and Low-Scale Constitutive Expression of Laccases Synthetic Genes GlLCC1 from Ganoderma lucidum and POXA 1B from Pleurotus ostreatus in Pichia pastoris
    Claudia Marcela Rivera-Hoyos, Edwin D. Morales-Álvarez, Sergio Alejandro Poveda Cuevas, Edwin Alfredo Reyes-Guzmán, Raúl A. Poutou‐Piñales, Edgar Antonio Reyes-Montaño, Aura M. Pedroza-Rodríguez, Refugio Rodríguez-Vázquez, Ángela M. Cardozo-Bernal · 2015 · PLoS ONE
  79. Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
    Yuqun Xu, Takuya Miyakawa, Hidemitsu Nakamura, Akira Nakamura, Yusaku Imamura, Tadao Asami, Masaru Tanokura · 2016 · Scientific Reports
  80. Crystal structures of the extracellular domains of the CrRLK1L receptor‐like kinases ANXUR1 and ANXUR2
    Shuo Du, Li‐Jia Qu, Junyu Xiao · 2018 · Protein Science
  81. Revisiting glycoside hydrolase family 20 β-N-acetyl-d-hexosaminidases: Crystal structures, physiological substrates and specific inhibitors
    Tian Liu, Yanwei Duan, Qing Kun Yang · 2018 · Biotechnology Advances
  82. Cheminformatics Identification of Phenolics as Modulators of Penicillin-Binding Protein 2a of Staphylococcus aureus: A Structure–Activity-Relationship-Based Study
    ‪Jamiu Olaseni Aribisala, Saheed Sabiu · 2022 · Pharmaceutics
  83. A Novel Approach to Evaluate Titanium Dioxide Nanoparticle–Protein Interaction Through Docking: An Insight into Mechanism of Action
    Shivendu Ranjan, Nandita Dasgupta, Sudandiradoss Chinnappan, Ramalingam Chidambaram, Ashutosh Kumar · 2015 · Proceedings of the National Academy of Sciences India Section B Biological Sciences
  84. Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials
    Attila G. Gyulassy, Aaron M. Knoll, Kah Chun Lau, Bei Wang, Peer‐Timo Bremer, Michael E. Papka, Larry A. Curtiss, Valerio Pascucci · 2015 · IEEE Transactions on Visualization and Computer Graphics
  85. Linking Genotype and Phenotype of Saccharomyces cerevisiae Strains Reveals Metabolic Engineering Targets and Leads to Triterpene Hyper-Producers
    Karina M. Madsen, D.B.R.K. Gupta Udatha, Saori Semba, Jose M. Otero, Peter Kötter, Jens Nielsen, Yutaka Ebizuka, Tetsuo Kushiro, Gianni Panagiotou · 2011 · PLoS ONE
  86. PoSSuM: a database of similar protein-ligand binding and putative pockets
    J.-I. Ito, Y. Tabei, Kentaro Shimizu, Koji Tsuda, Kentaro Tomii · 2011 · Nucleic Acids Research
  87. Trypanocidal properties, structure–activity relationship and computational studies of quinoxaline 1,4-di-N-oxide derivatives
    Yannick Estevez, Miguel Quiliano, Asunción Burguete, Billy Joel Cabanillas, Mirko Zimic, Edith Málaga, Manuela Verástegui, Silvia Pérez‐Silanes, Ignacio Aldana, Antonio Monge et al. · 2011 · Experimental Parasitology
  88. α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reaction
    Yi Jin, Debabrata Bhattasali, Erika Pellegrini, Stephanie M. Forget, Nicola J. Baxter, Matthew J. Cliff, Matthew W. Bowler, David L. Jakeman, George Michael Blackburn, Jonathan P. Waltho · 2014 · Proceedings of the National Academy of Sciences
  89. Enhancing the Promiscuous Phosphotriesterase Activity of a Thermostable Lactonase (GkaP) for the Efficient Degradation of Organophosphate Pesticides
    Yu Zhang, Jiao An, Wei Ye, Guangyu Yang, Zhi‐Gang Qian, Haifeng Chen, Li Cui, Yan Fang Feng · 2012 · Applied and Environmental Microbiology
  90. Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritima
    Mark Levisson, Gye Won Han, Marc C. Deller, Qingping Xu, Peter Biely, Sjon Hendriks, Lynn F. Ten Eyck, Claus Flensburg, Pietro Roversi, Mitchell D. Miller et al. · 2012 · Proteins Structure Function and Bioinformatics
  91. Active-pocket size differentiating insectile from bacterial chitinolytic β-N-acetyl- D -hexosaminidases
    Tian Liu, Haitao Zhang, Fengyi Liu, Lei Chen, Xu Shen, Qing Kun Yang · 2011 · Biochemical Journal
  92. High-pressure protein crystallography of hen egg-white lysozyme
    Hiroyuki Yamada, T. Nagae, Nobuhisa Watanabe · 2015 · Acta Crystallographica Section D Biological Crystallography
  93. Flexibility and Stability Trade-Off in Active Site of Cold-Adapted Pseudomonas mandelii Esterase EstK
    Ngoc Truongvan, Sei‐Heon Jang, ChangWoo Lee · 2016 · Biochemistry
  94. Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study
    Rasel Ahmed Khan, Rajib Hossain, Abolghasem Siyadatpanah, Khattab Al-Khafaji, Abul Bashar Ripon Khalipha, Dipta Dey, Umma Hafsa Asha, Partha Biswas, Abu Saim Mohammad Saikat, Hadi Ahmadi Chenari et al. · 2021 · Molecules
  95. Bioinformatical Analysis of the Sequences, Structures and Functions of Fungal Polyketide Synthase Product Template Domains
    Lu Liu, Zheng Zhang, Chang‐Lun Shao, Jinlan Wang, Hong Bai, Chang‐Yun Wang · 2015 · Scientific Reports
  96. Exploring the Molecular Interactions of 7,8-Dihydroxyflavone and Its Derivatives with TrkB and VEGFR2 Proteins
    Nitin Chitranshi, Vivek Gupta, Sanjay Kumar, Stuart L. Graham · 2015 · International Journal of Molecular Sciences
  97. Repair of O6-G-Alkyl-O6-G Interstrand Cross-Links by Human O6-Alkylguanine-DNA Alkyltransferase
    Qingming Fang, Anne M. Noronha, Sebastian P. Murphy, Christopher James Wilds, Julie L. Tubbs, John A. Tainer, Goutam Chowdhury, Frederick Peter Guengerich, Anthony E. Pegg · 2008 · Biochemistry
  98. Structure of ginseng major latex-like protein 151 and its proposed lysophosphatidic acid-binding mechanism
    Sun-Hye Choi, Myoung‐Ki Hong, Hyeon-Joong Kim, Nayeon Ryoo, Hyewhon Rhim, Seung-Yeol Nah, Lin‐Woo Kang · 2015 · Acta Crystallographica Section D Biological Crystallography
  99. Four structural subclasses of the antivirulence drug target disulfide oxidoreductase DsbA provide a platform for design of subclass-specific inhibitors
    Róisín M. McMahon, Lakshmanane Premkumar, Jennifer L. Martin · 2014 · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
  100. A Novel Class of Plant Type III Polyketide Synthase Involved in Orsellinic Acid Biosynthesis from Rhododendron dauricum
    Futoshi Taura, Miu Iijima, Eriko Yamanaka, Hironobu Takahashi, Hiromichi Kenmoku, Haruna Saeki, Satoshi Morimoto, Yoshinori Asakawa, Fumiya Kurosaki, Hiroyuki Morita · 2016 · Frontiers in Plant Science