CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues
Cited by (1,000)
Items 201–300 of 1,000
- Selectivity of Fungal Sesquiterpene Synthases: Role of the Active Site's H-1α Loop in CatalysisFernando López‐Gallego, Grayson T. Wawrzyn, Claudia Schmidt‐Dannert · 2010 · Applied and Environmental Microbiology
- Studies on flexibility and binding affinity of Asp25 of HIV-1 protease mutantsRituraj Purohit, Ramalingam Rajasekaran, Chinnappan Sudandiradoss, C. George Priya Doss, K. Ramanathan, Rao Sethumadhavan · 2008 · International Journal of Biological Macromolecules
- Two Intramolecular Isopeptide Bonds are Identified in the Crystal Structure of the Streptococcus gordonii SspB C-terminal DomainNina Forsgren, Richard John Lamont, Karina Persson · 2010 · Journal of Molecular Biology
- A Compact Structure of Cytochrome c Trapped in a Lysine-Ligated State: Loop Refolding and Functional Implications of a Conformational SwitchJeanine 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
- Structure and Function of the Peanut Panallergen Ara h 8Barry K. Hurlburt, Lesa R. Offermann, Jane McBride, Karolina A. Majorek, Soheila June Maleki, M. Chruszcz · 2013 · Journal of Biological Chemistry
- Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational PhotobiologyFederico 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
- Exploring new galaxies: Perspectives on the discovery of novel PET-degrading enzymesJan 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
- Sulforaphane Reverses the Expression of Various Tumor Suppressor Genes by Targeting DNMT3B and HDAC1 in Human Cervical Cancer CellsMunawwar 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
- Biochemical and Structural Basis for Controlling Chemical Modularity in Fungal Polyketide BiosynthesisJaclyn 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
- Herbal Lead as Ideal Bioactive Compounds Against Probable Drug Targets of Ebola Virus in Comparison with Known Chemical Analogue: A Computational Drug Discovery PerspectiveAnagha Shamsundar Setlur, Sujay Naik, Sinosh Skariyachan · 2016 · Interdisciplinary Sciences Computational Life Sciences
- Insect Juvenile Hormone Binding Protein Shows Ancestral Fold Present in Human Lipid-Binding ProteinsR. Kolodziejczyk, Grzegorz Bujacz, Michał Jakób, Andrzej Ożyhar, Mariusz Jaskólski, Marian Kochman · 2008 · Journal of Molecular Biology
- Regio- and Stereospecificity of Filipin Hydroxylation Sites Revealed by Crystal Structures of Cytochrome P450 105P1 and 105D6 from Streptomyces avermitilisLian‐Hua Xu, Shinya Fushinobu, Satoshi Takamatsu, Takayoshi Wakagi, Haruo Ikeda, Hirofumi Shoun · 2010 · Journal of Biological Chemistry
- Cancer Associated E17K Mutation Causes Rapid Conformational Drift in AKT1 Pleckstrin Homology (PH) DomainAmbuj Kumar, Rituraj Purohit · 2013 · PLoS ONE
- Visual Analysis of Biomolecular Cavities: State of the ArtMichael Krone, Barbora Kozlíková, Norbert Lindow, Marc Baaden, Daniel Baum, Július Parulek, Hans‐Christian Hege, Ivan Viola · 2016 · Computer Graphics Forum
- Structure of the Major Apple Allergen Mal d 1Linda Ahammer, Sarina Grutsch, Anna Sophia Kamenik, Klaus Roman Liedl, Martin Tollinger · 2017 · Journal of Agricultural and Food Chemistry
- Molecular evolution and diversification of the SMXL gene familyTaraka Ramji Moturu, Sravankumar Thula, Ravi Kumar Singh, Tomasz Nodzyński, Radka Svobodová Vařeková, Jiří Friml, Sibu Simon · 2018 · Journal of Experimental Botany
- Testosterone complex and non-steroidal ligands of human aromataseDebashis Ghosh, Chinaza Egbuta, Jessica Lo · 2018 · The Journal of Steroid Biochemistry and Molecular Biology
- Studies on Adaptability of Binding Residues Flap Region of TMC-114 Resistance HIV-1 Protease MutantsRituraj Purohit, Vidya Rajendran, Rao Sethumadhavan · 2011 · Journal of Biomolecular Structure and Dynamics
- Methylglucosylation of aromatic amino and phenolic moieties of drug-like biosynthons by combinatorial biosynthesisLinan 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
- Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosisSyed 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
- Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching TechniquesJerry Osagie Ebalunode, Zheng Ouyang, Jie Liang, Weifan Zheng · 2008 · Journal of Chemical Information and Modeling
- CB2 cannabinoid receptor agonist enantiomers HU-433 and HU-308: An inverse relationship between binding affinity and biological potencyReem 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
- High‐performance prediction of functional residues in proteins with machine learning and computed input featuresSrinivas Somarowthu, Huyuan Yang, David G. C. Hildebrand, Mary Jo Ondrechen · 2011 · Biopolymers
- Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking studyAdhip Rahman, Mohammad Tuhin Ali, Mohammad Mahfuz Ali Khan Shawan, Mohammed G. Sarwar, Mohammad A. K. Khan, Mohammad A. Halim · 2016 · SpringerPlus
- Structure-based virtual screening and molecular docking for the identification of potential multi-targeted inhibitors against breast cancerZeeshan Yousuf, Kanzal Iman, Nouman Iftikhar, Muhammad Usman Mirza · 2017 · Breast Cancer Targets and Therapy
- Investigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics SimulationsNisha Amarnath Jonniya, Md Fulbabu Sk, Parimal Kar · 2019 · ACS Omega
- The role of conserved water molecules in the catalytic domain of protein kinasesJames D.R. Knight, Donald Hamelberg, James Andrew McCammon, Rashmi Kothary · 2009 · Proteins Structure Function and Bioinformatics
- Structural basis for the resilience of Darunavir (TMC114) resistance major flap mutations of HIV-1 proteaseRituraj Purohit, Rao Sethumadhavan · 2009 · Interdisciplinary Sciences Computational Life Sciences
- Evidence of Colorectal Cancer-Associated Mutation in MCAK: A Computational ReportAmbuj Kumar, Vidya Rajendran, Rao Sethumadhavan, Rituraj Purohit · 2013 · Cell Biochemistry and Biophysics
- Synthesis, Characterization, Modeling, and Antimicrobial Activity of FeIII, CoII, NiII, CuII, and ZnII Complexes Based on Tri‐substituted Imidazole LigandMohamed Ismael, Aly Abdou, A. M. Abdel‐Mawgoud · 2018 · Zeitschrift für anorganische und allgemeine Chemie
- Structural basis of the proinflammatory signaling complex mediated by TSLPKenneth Verstraete, Loes van Schie, Laurens Vyncke, Yehudi Bloch, Jan H. Tavernier, Ewald Pauwels, Frank Peelman, Savvas N. Savvides · 2014 · Nature Structural & Molecular Biology
- Molecular Insight into the Synergism between the Minor Allele of Human Liver Peroxisomal Alanine:Glyoxylate Aminotransferase and the F152I MutationBarbara Cellini, Riccardo Montioli, Alessandro Paiardini, Antonio Lorenzetto, Carla Borri Voltattorni · 2009 · Journal of Biological Chemistry
- Alpha shape and Delaunay triangulation in studies of protein-related interactionsWeiqiang Zhou, Hong Yan · 2012 · Briefings in Bioinformatics
- Molecular-docking study of malaria drug target enzyme transketolase in Plasmodium falciparum 3D7 portends the novel approach to its treatmentMd. Anayet Hasan, Md. Habibul Hasan Mazumder, Afrin Sultana Chowdhury, Amit Datta, Md. Arif Khan · 2015 · Source Code for Biology and Medicine
- Dipeptidyl peptidase IV Inhibitory activity of Terminalia arjuna attributes to its cardioprotective effects in experimental diabetes: In silico, in vitro and in vivo analysesIpseeta Ray Mohanty, Manjusha K. Borde, Selvaa Kumar C, Ujwala M. Maheshwari · 2018 · Phytomedicine
- Crystal Structures of Bacterial Peptidoglycan Amidase AmpD and an Unprecedented Activation MechanismCésar 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
- Structural basis for amino-acid recognition and transmembrane signalling by tandem Per–Arnt–Sim (tandem PAS) chemoreceptor sensory domainsYu C. Liu, Mayra Alejandra Machuca, Simone A. Beckham, Menachem J. Gunzburg, Anna Roujeinikova · 2015 · Acta Crystallographica Section D Biological Crystallography
- Human plasma retinol-binding protein (RBP4) is also a fatty acid-binding proteinMassimiliano Perduca, Stefania Nicolis, Barbara Mannucci, Monica Galliano, Hugo Luis Monaco · 2018 · Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids
- Identification of a Mechanical Rheostat in the Hydrophobic Core of Protein LDavid P. Sadler, Eva Petrik, Yukinori Taniguchi, James Pullen, Masaru Kawakami, Sheena E. Radford, David J. Brockwell · 2009 · Journal of Molecular Biology
- Der p 5 Crystal Structure Provides Insight into the Group 5 Dust Mite AllergensGeoffrey 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
- Structural Insight into the Expanded PCB-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed EvolutionPravindra Kumar, Mahmood Mohammadi, Jean-François Viger, Diane Barriault, Leticia Gómez-Gil, Lindsay D. Eltis, Jeffrey T. Bolin, Michel Sylvestre · 2010 · Journal of Molecular Biology
- 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 ellipticineAnupam Das, Raina Thakur, Anuradha Dagar, Anjan Chakraborty · 2014 · Physical Chemistry Chemical Physics
- 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
- Genome-wide exploration of silicon (Si) transporter genes, Lsi1 and Lsi2 in plants; insights into Si-accumulation status/capacity of plantsRecep Vatansever, İbrahim İlker Özyiğit, Ertuğrul Filiz, Nermin Gozukara · 2017 · BioMetals
- Evaluation of various inverse docking schemes in multiple targets identificationHuifang Liu, Qing Shen, Jian Zhang, Wei Fu · 2010 · Journal of Molecular Graphics and Modelling
- The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization StateKaylyn M. Oshaben, Reza Salari, Darrell R. McCaslin, Lillian T. Chong, W. Seth Horne · 2012 · Biochemistry
- Exquisite ligand stereoselectivity of a Drosophila juvenile hormone receptor contrasts with its broad agonist repertoireLenka Bittova, Pavel Jedlička, Martin Dračínský, Palani Kirubakaran, Jiřı́ Vondrášek, Robert Hanus, Marek Jindra · 2018 · Journal of Biological Chemistry
- Comparative analysis of glyoxalase pathway genes in Erianthus arundinaceus and commercial sugarcane hybrid under salinity and drought conditionsV. 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
- Characterization of a novel family VIII esterase EstM2 from soil metagenome capable of hydrolyzing estrogenic phthalatesJayita Sarkar, Arindam Dutta, Piyali Pal Chowdhury, Joydeep Chakraborty, Tapan K. Dutta · 2020 · Microbial Cell Factories
- Identification and molecular characterization of a novel flavin-free NADPH preferred azoreductase encoded by azoB in Pigmentiphaga kullae K24Huizhong Chen, Jinhui Feng, Hang‐Yeon Weon, Haiyan Xu, Carl E. Cerniglia · 2010 · BMC Biochemistry
- Structure and dynamics of de novo proteins from a designed superfamily of 4‐helix bundlesAbigail Go, Seho Kim, Jean Baum, Michael H. Hecht · 2008 · Protein Science
- Structure-Based Design of Small-Molecule Protein–Protein Interaction Modulators: The Story so FarFederico Falchi, Fabiana Caporuscio, Maurizio Recanatini · 2014 · Future Medicinal Chemistry
- Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysisDaniela Barretto Barbosa Trivella, C.V. dos Reis, Luís Maurício T. R. Lima, Débora Foguel, Igor Polikarpov · 2012 · Journal of Structural Biology
- Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40Muhammad Usman Mirza, Nazia Ikram · 2016 · International Journal of Molecular Sciences
- A molecular basis of human T cell receptor autoreactivity toward self-phospholipidsAdam Shahine, Ildiko Van Rhijn, Tan‐Yun Cheng, Sarah K. Iwany, Stéphanie Gras, David Branch Moody, Jamie Rossjohn · 2017 · Science Immunology
- Investigation of interaction modes involved in alkaline phosphatase and organophosphorus pesticides via molecular simulationsYuhao Chu, Yuan Li, Yutang Wang, Bin Li, Ying‐Hua Zhang · 2018 · Food Chemistry
- In Silico Screening of Isocitrate Lyase for Novel Anti-Buruli Ulcer Natural Products Originating from AfricaSamuel 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
- In silico and in vitro studies of lupeol and iso-orientin as potential antidiabetic agents in a rat modelArif Malik, Uzma Jamil, Tariq Tahir Butt, Sulayman Waquar, Siew Hua Gan, Hassan Shafique, Tassadaq Hussain Jafar · 2019 · Drug Design Development and Therapy
- Homology Modeling of GLUT4, an Insulin Regulated Facilitated Glucose Transporter and Docking Studies with ATP and its InhibitorsS. Suma Mohan, J. Jefferson P. Perry, Ninu Poulose, Bipin Gopalakrishnan Nair, Anilkumar Gopalakrishnapillai · 2009 · Journal of Biomolecular Structure and Dynamics
- The lipoproteins of cyanobacterial photosystem IIRobert D. Fagerlund, Julian J. Eaton‐Rye · 2011 · Journal of Photochemistry and Photobiology B Biology
- Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteinsM. Chruszcz, Maria Antonietta Ciardiello, Tomasz Osinski, Karolina A. Majorek, Ivana Giangrieco, Jose Font, Heimo Breiteneder, Konstantinos Thalassinos, Wladek Minor · 2013 · Molecular Immunology
- Structural Properties of PAS Domains from the KCNH Potassium ChannelsRicardo Adaixo, Carol A. Harley, Artur F. Castro-Rodrigues, João Henrique Morais-Cabral · 2013 · PLoS ONE
- Structure of the catalytic domain of glucoamylase fromAspergillus nigerJaeyong Lee, Mark Paetzel · 2011 · Acta Crystallographica Section F Structural Biology and Crystallization Communications
- Methods for Predicting Protein–Ligand Binding SitesZhong‐Ru Xie, Ming‐Jing Hwang · 2014 · Methods in molecular biology
- Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCF FBXO31 ubiquitin ligaseYunfeng Li, Kai Jin, Eric N. Bunker, Xiaojuan Zhang, Xuemei Luo, Xuedong Liu, Bing Hao · 2017 · Proceedings of the National Academy of Sciences
- 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
- BetaCavityWeb: a webserver for molecular voids and channelsKim, Jae-Kwan, Cho, Youngsong, Lee, Mokwon, Laskowski, Roman A., Ryu, Seong Eon, Sugihara, Kokichi, Kim, Deok-Soo · 2015 · Nucleic Acids Research
- Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics SimulationsTereza Hendrychova, Karel Berka, Veronika Navrátilová, Pavel Anzenbacher, Michal Otyepka · 2012 · Current Drug Metabolism
- Structural Signatures of Enzyme Binding Pockets from Order-Independent Surface Alignment: A Study of Metalloendopeptidase and NAD Binding ProteinsJoe Dundas, Larisa Adamian, Jie Liang · 2010 · Journal of Molecular Biology
- Glutathione modulates the expression of heat shock proteins via the transcription factors BZIP10 and MYB21 in ArabidopsisDeepak Kumar, Sharmila Chattopadhyay · 2018 · Journal of Experimental Botany
- In silico screening of glycogen synthase kinase-3β targeted ligands against acetylcholinesterase and its probable relevance to Alzheimer’s diseaseNasimudeen 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
- Identification of Potential Inhibitors against Epstein–Barr Virus Nuclear Antigen 1 (EBNA1): An Insight from Docking and Molecular Dynamic SimulationsShweta Jakhmola, Nisha Amarnath Jonniya, Md Fulbabu Sk, Annu Rani, Parimal Kar, Hem Chandra Jha · 2021 · ACS Chemical Neuroscience
- Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16MJangampalli Adi Pradeepkiran, Kranthi Kumar Konidala, Nanda Kumar Yellapu, Bhaskar · 2015 · Drug Design Development and Therapy
- Beyond structural genomics: computational approaches for the identification of ligand binding sites in protein structuresDario Ghersi, Roberto Sánchez · 2011 · Journal of Structural and Functional Genomics
- Engineering a model protein cavity to catalyze the Kemp eliminationMatthew Merski, Brian K. Shoichet · 2012 · Proceedings of the National Academy of Sciences
- Structural Insights into the Recognition of Peroxisomal Targeting Signal 1 by Trypanosoma brucei Peroxin 5Parthasarathy Sampathkumar, Claudia Roach, Paul A.M. Michels, Wim G. J. Hol · 2008 · Journal of Molecular Biology
- Design, synthesis and biological evaluation of functionalized phthalimides: A new class of antimalarials and inhibitors of falcipain-2, a major hemoglobinase of malaria parasiteAnil 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
- Computational Analysis and Low-Scale Constitutive Expression of Laccases Synthetic Genes GlLCC1 from Ganoderma lucidum and POXA 1B from Pleurotus ostreatus in Pichia pastorisClaudia 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
- Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthicaYuqun Xu, Takuya Miyakawa, Hidemitsu Nakamura, Akira Nakamura, Yusaku Imamura, Tadao Asami, Masaru Tanokura · 2016 · Scientific Reports
- Crystal structures of the extracellular domains of the CrRLK1L receptor‐like kinases ANXUR1 and ANXUR2Shuo Du, Li‐Jia Qu, Junyu Xiao · 2018 · Protein Science
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- Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery MaterialsAttila 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
- Linking Genotype and Phenotype of Saccharomyces cerevisiae Strains Reveals Metabolic Engineering Targets and Leads to Triterpene Hyper-ProducersKarina 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
- PoSSuM: a database of similar protein-ligand binding and putative pocketsJ.-I. Ito, Y. Tabei, Kentaro Shimizu, Koji Tsuda, Kentaro Tomii · 2011 · Nucleic Acids Research
- Trypanocidal properties, structure–activity relationship and computational studies of quinoxaline 1,4-di-N-oxide derivativesYannick 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
- α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reactionYi 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
- Enhancing the Promiscuous Phosphotriesterase Activity of a Thermostable Lactonase (GkaP) for the Efficient Degradation of Organophosphate PesticidesYu Zhang, Jiao An, Wei Ye, Guangyu Yang, Zhi‐Gang Qian, Haifeng Chen, Li Cui, Yan Fang Feng · 2012 · Applied and Environmental Microbiology
- Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritimaMark 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
- Active-pocket size differentiating insectile from bacterial chitinolytic β-N-acetyl- D -hexosaminidasesTian Liu, Haitao Zhang, Fengyi Liu, Lei Chen, Xu Shen, Qing Kun Yang · 2011 · Biochemical Journal
- High-pressure protein crystallography of hen egg-white lysozymeHiroyuki Yamada, T. Nagae, Nobuhisa Watanabe · 2015 · Acta Crystallographica Section D Biological Crystallography
- Flexibility and Stability Trade-Off in Active Site of Cold-Adapted Pseudomonas mandelii Esterase EstKNgoc Truongvan, Sei‐Heon Jang, ChangWoo Lee · 2016 · Biochemistry
- Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology StudyRasel 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
- Bioinformatical Analysis of the Sequences, Structures and Functions of Fungal Polyketide Synthase Product Template DomainsLu Liu, Zheng Zhang, Chang‐Lun Shao, Jinlan Wang, Hong Bai, Chang‐Yun Wang · 2015 · Scientific Reports
- Exploring the Molecular Interactions of 7,8-Dihydroxyflavone and Its Derivatives with TrkB and VEGFR2 ProteinsNitin Chitranshi, Vivek Gupta, Sanjay Kumar, Stuart L. Graham · 2015 · International Journal of Molecular Sciences
- Repair of O6-G-Alkyl-O6-G Interstrand Cross-Links by Human O6-Alkylguanine-DNA AlkyltransferaseQingming 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
- Structure of ginseng major latex-like protein 151 and its proposed lysophosphatidic acid-binding mechanismSun-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
- Four structural subclasses of the antivirulence drug target disulfide oxidoreductase DsbA provide a platform for design of subclass-specific inhibitorsRóisín M. McMahon, Lakshmanane Premkumar, Jennifer L. Martin · 2014 · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
- A Novel Class of Plant Type III Polyketide Synthase Involved in Orsellinic Acid Biosynthesis from Rhododendron dauricumFutoshi Taura, Miu Iijima, Eriko Yamanaka, Hironobu Takahashi, Hiromichi Kenmoku, Haruna Saeki, Satoshi Morimoto, Yoshinori Asakawa, Fumiya Kurosaki, Hiroyuki Morita · 2016 · Frontiers in Plant Science