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

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Items 301–400 of 1,000

1. Divergent receptor proteins confer responses to different karrikins in two ephemeral weeds
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2. Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach
   Ihsan A. Shehadi, Huda R. M. Rashdan, Aboubakr Haredi Abdelmonsef · 2020 · Computational and Mathematical Methods in Medicine
3. A Genome-Wide Analysis of Pathogenesis-Related Protein-1 (PR-1) Genes from Piper nigrum Reveals Its Critical Role during Phytophthora capsici Infection
   Divya Kattupalli, Asha Srinivasan, Eppurathu Vasudevan Soniya · 2021 · Genes
4. Relationship between a point mutation S97C in CK1δ protein and its affect on ATP-binding affinity
   Ambuj Kumar, Vidya Rajendran, Rao Sethumadhavan, Rituraj Purohit · 2013 · Journal of Biomolecular Structure and Dynamics
5. A Fungal P450 (CYP5136A3) Capable of Oxidizing Polycyclic Aromatic Hydrocarbons and Endocrine Disrupting Alkylphenols: Role of Trp129 and Leu324
   Khajamohiddin Syed, Aleksey Porollo, Ying Wai Lam, Jagjit Singh Yadav · 2011 · PLoS ONE
6. The Structure of Dimeric Apolipoprotein A-IV and Its Mechanism of Self-Association
   Xiaodi Deng, Jamie C Morris, James Dressmen, Matthew R. Tubb, Patrick Tso, W. Gray Jerome, William Sean Davidson, Thomas B. Thompson · 2012 · Structure
7. The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
   C. Bade-Doding, A. Theodossis, Stéphanie Gras, Lars Kjer‐Nielsen, Britta Eiz‐Vesper, Axel W. Seltsam, Trevor Huyton, Jamie Rossjohn, James McCluskey, Rainer Blasczyk · 2010 · Haematologica
8. Pressure adaptation is linked to thermal adaptation in salt‐saturated marine habitats
   María M. Alcaide, P.J. Stogios, Álvaro Lafraya, Anatoli Tchigvintsev, Robert Flick, Rafael Bargiela, Tatyana N. Chernikova, Oleg N. Reva, Tran Hai, Christian C. Leggewie et al. · 2014 · Environmental Microbiology
9. Structure-Function Analysis of a Mixed-linkage β-Glucanase/Xyloglucanase from the Key Ruminal Bacteroidetes Prevotella bryantii B14
   Nicholas G. S. McGregor, Mariya Morar, Thomas Hauch Fenger, P.J. Stogios, Nicolas Lenfant, Victor C. Yin, Xiaohui Xu, E. Evdokimova, Hong Cui, Bernard Henrissat et al. · 2015 · Journal of Biological Chemistry
10. Inhibition of Alzheimer's amyloid-beta aggregation in-vitro by carbenoxolone: Insight into mechanism of action
    Sharma, Sheetal, Nehru, Bimla, Saini, Avneet · 2017 · Neurochemistry International
11. Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24
    Samuel K. Kwofie, Emmanuel Broni, Joshua Teye, Erasmus Quansah, Ibrahim Issah, Michael D. Wilson, Whelton A. Miller, Elvis Kwason Tiburu, Joseph Humphrey Kofi Bonney · 2019 · Computers in Biology and Medicine
12. In SilicoModels for the Human α4β2 Nicotinic Acetylcholine Receptor
    Esmael J. Haddadian, Mary Hongying Cheng, Rob D. Coalson, Yan Xu, Pei Song Tang · 2008 · The Journal of Physical Chemistry B
13. Microwave-assisted green synthesis of fluorescent graphene quantum dots (GQDs) using Azadirachta indica leaves: enhanced synergistic action of antioxidant and antimicrobial effects and unveiling computational insights
    Pooja Kadyan, Manish Kumar, Aisha Tufail, Andrea Ragusa, Sudhir Kumar Kataria, Amit Dubey · 2024 · Materials Advances
14. Mimicking Tyrosine Phosphorylation in Human Cytochrome c by the Evolved tRNA Synthetase Technique
    Alejandra Guerra‐Castellano, Antonio Dı́az-Quintana, Blas Moreno‐Beltrán, Javier López‐Prados, Pedro M. Nieto, Wiebke Meister, Jana Staffa, Miguel S. Teixeira, Peter Hildebrandt, Miguel Ángel De la Rosa et al. · 2015 · Chemistry - A European Journal
15. Bh3 induced conformational changes in B cl‐ X l revealed by crystal structure and comparative analysis
    S. S. Rajan, Minjoo Choi, Kwanghee Baek, Ho Sup Yoon · 2015 · Proteins Structure Function and Bioinformatics
16. A comprehensive immunoinformatics and target site study revealed the corner-stone toward Chikungunya virus treatment
    Md. Anayet Hasan, Md. Arif Khan, Amit Datta, Md. Habibul Hasan Mazumder, Mohammad Uzzal Hossain · 2015 · Molecular Immunology
17. Isocitrate lyase of Mycobacterium tuberculosis is inhibited by quercetin through binding at N-terminus
    Harish Shukla, Vikash Kumar, Amit Kumar Singh, Shivangi Rastogi, Shaheb Raj Khan, Mohammad Imran Siddiqi, Manju Yasoda Krishnan, Md. Sohail Akhtar · 2015 · International Journal of Biological Macromolecules
18. Determining the molecular mechanism of inactivation by chemical modification of triosephosphate isomerase from the human parasite Giardia lamblia: A study for antiparasitic drug design
    Sergio Enríquez‐Flores, Adela Rodríguez‐Romero, Gloria Hernández‐Alcántara, Jesús Oria‐Hernández, Pedro Gutiérrez‐Castrellón, Gerardo Pérez‐Hernández, Ignacio de la Mora‐de la Mora, Adriana Castillo‐Villanueva, Itzhel García‐Torres, Sara Teresa Méndez et al. · 2011 · Proteins Structure Function and Bioinformatics
19. Cooperative Binding of Aflatoxin B1 by Cytochrome P450 3A4: A Computational Study
    Urban Bren, Julian E. Fuchs, Chris Oostenbrink · 2014 · Chemical Research in Toxicology
20. The molecular basis for peptide repertoire selection in the human leukocyte antigen (HLA) C*06:02 molecule
    Jesse I. Mobbs, Patricia T. Illing, Nadine L. Dudek, Andrëw G. Brööks, Daniel G. Baker, Anthony Wayne Purcell, Jamie Rossjohn, Julian P. Vivian · 2017 · Journal of Biological Chemistry
21. Dissecting the Innate Immune Recognition of Opioid Inactive Isomer (+)-Naltrexone Derived Toll-like Receptor 4 (TLR4) Antagonists
    Xiaozheng Zhang, Fengchao Cui, Hongqian Chen, Tianshu Zhang, Kecheng Yang, Yibo Wang, Zhenyan Jiang, Kenner C. Rice, Linda R. Watkins, Mark Rowland Hutchinson et al. · 2018 · Journal of Chemical Information and Modeling
22. Crystal structure of a major seed storage protein, 11S proglobulin, from Amaranthus hypochondriacus: Insight into its physico-chemical properties
    Mary Rose Tandang‐Silvas, Cerrone S. Cabanos, Laura Dennisse Carrazco Peña, Ana P. Barba de la Rosa, Juan Alberto Osuna‐Castro, Shigeru Utsumi, Bunzo Mikami, Nobuyuki Maruyama · 2012 · Food Chemistry
23. Molecular modeling of the reductase domain to elucidate the reaction mechanism of reduction of peptidyl thioester into its corresponding alcohol in non-ribosomal peptide synthetases
    Balachandran Manavalan, Senthil K. Murugapiran, Gwang Lee, Sangdun Choi · 2010 · BMC Structural Biology
24. Structural and Functional Analysis of SmeT, the Repressor of the Stenotrophomonas maltophilia Multidrug Efflux Pump SmeDEF
    Alvaro Hernández, María Jesus Maté, Patricia C. Sánchez-Díaz, Antonio Romero, Fernando Rojo, José Luis Martínez · 2009 · Journal of Biological Chemistry
25. Protein function prediction: towards integration of similarity metrics
    Serkan Erdin, Andreas Martin Lisewski, Olivier Lichtarge · 2011 · Current Opinion in Structural Biology
26. Engineering of Pseudomonas aeruginosa lipase by directed evolution for enhanced amidase activity: mechanistic implication for amide hydrolysis by serine hydrolases
    Yuichi Nakagawa, Atsuko Hasegawa, Jun Hiratake, Kanzo Sakata · 2007 · Protein Engineering Design and Selection
27. Anesthetic Binding in a Pentameric Ligand-Gated Ion Channel: GLIC
    Qiang Chen, Mary Hongying Cheng, Yan Xu, Pei Song Tang · 2010 · Biophysical Journal
28. The structure of a prophenoloxidase (PPO) from Anopheles gambiae provides new insights into the mechanism of PPO activation
    Yingxia Hu, Yang Wang, Junpeng Deng, Haobo Jiang · 2016 · BMC Biology
29. Critical residues involved in Toll-like receptor 4 activation by cationic lipid nanocarriers are not located at the lipopolysaccharide-binding interface
    Caroline Lonez, Katherine L. Irvine, Malvina Pizzuto, Boris I. Schmidt, Nicholas J. Gay, Jean‐Marie Ruysschaert, Monique Gangloff, Clare Elizabeth Bryant · 2015 · Cellular and Molecular Life Sciences
30. Characterization of Class III Peroxidases from Switchgrass
    Timothy W. Moural, Kevin M. Lewis, Carlo Barnaba, Fang Zhu, Nathan A. Palmer, Gautam Sarath, Erin D. Scully, Jeffrey P. Jones, Scott E. Sattler, ChulHee Kang · 2016 · PLANT PHYSIOLOGY
31. Characterization of Bile Salt Hydrolase from Lactobacillus gasseri FR4 and Demonstration of Its Substrate Specificity and Inhibitory Mechanism Using Molecular Docking Analysis
    Rizwana Parveen Rani, Marimuthu Anandharaj, Abraham David Ravindran · 2017 · Frontiers in Microbiology
32. Investigation of the interaction of anthraquinones of Cassia occidentalis seeds with bovine serum albumin by molecular docking and spectroscopic analysis: Correlation to their in vitro cytotoxic potential
    Gatikrushna Panigrahi, Manish Kumar Suthar, Neeraj Kumar Verma, Somya Asthana, Anurag Tripathi, Shailendra K. Gupta, Jitendra Kumar Saxena, Sheikh Raisuddin, Mukul Das · 2015 · Food Research International
33. Hemozymes Peroxidase Activity Of Artificial Hemoproteins Constructed From the Streptomyces lividans Xylanase A and Iron(III)-Carboxy-Substituted Porphyrins
    Rémy Ricoux, Roger Dubuc, Claude Dupont, Jean‐Didier Maréchal, Aurore Martin, Marion Sellier, Jean‐Pierre Mahy · 2008 · Bioconjugate Chemistry
34. Purinergic P2X receptors: Structural models and analysis of ligand-target interaction
    Diego Dal Ben, Michela Buccioni, Catia Lambertucci, Gabriella Marucci, Ajiroghene Thomas, Rosaria Volpini · 2014 · European Journal of Medicinal Chemistry
35. Predicting peptide binding sites on protein surfaces by clustering chemical interactions
    Chengfei Yan, Xiaoqin Zou · 2014 · Journal of Computational Chemistry
36. High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
    T. Nagae, Takashi Kawamura, Leonard M. G. Chavas, Ken Niwa, Masashi Hasegawa, Chiaki Kato, Nobuhisa Watanabe · 2012 · Acta Crystallographica Section D Biological Crystallography
37. Modeling Peptide–Protein Interactions
    Nir London, Barak Raveh, Ora Schueler‐Furman · 2011 · Methods in molecular biology
38. Recent Advances in Computer-Aided Drug Design as Applied to Anti-Influenza Drug Discovery
    Prema Latha Mallipeddi, Gyanendra Kumar, Stephen W. White, Thomas R. Webb · 2014 · Current Topics in Medicinal Chemistry
39. Probing Binding Sites and Mechanisms of Action of an I Ks Activator by Computations and Experiments
    Yu Xu, Yuhong Wang, Mei Zhang, Min Jiang, Avia Rosenhouse‐Dantsker, Tsjerk A. Wassenaar, Gea‐Ny Tseng · 2015 · Biophysical Journal
40. Mutations in hereditary phosphoglucomutase 1 deficiency map to key regions of enzyme structure and function
    Lesa J. Beamer · 2014 · Journal of Inherited Metabolic Disease
41. Structural and Functional Analysis of Cell Wall-anchored Polypeptide Adhesin BspA in Streptococcus agalactiae
    Sara Rego, Timothy J. Heal, Grace R. Pidwill, Marisa Till, A. D. Robson, Richard John Lamont, Richard Barry Sessions, Howard F. Jenkinson, Paul R. Race, Angela H. Nobbs · 2016 · Journal of Biological Chemistry
42. Regio‐ and Stereospecific O‐Glycosylation of Phenolic Compounds Catalyzed by a Fungal Glycosyltransferase from Mucor hiemalis
    Feng Jin, Peng Zhang, Yinglu Cui, Kai Li, Xue Qiao, Ying‐Tao Zhang, Shu‐Ming Li, Russell John Cox, Bian Wu, Min Ye et al. · 2017 · Advanced Synthesis & Catalysis
43. Peptide Uptake Is Essential for Borrelia burgdorferi Viability and Involves Structural and Regulatory Complexity of its Oligopeptide Transporter
    Ashley M. Groshong, Abhishek Dey, Irina Bezsonova, Melissa J. Caimano, Justin David Radolf · 2017 · mBio
44. Crystal structure of the Alpha subunit PAS domain from soluble guanylyl cyclase
    Rahul Purohit, Andrzej Weichsel, W.R. Montfort · 2013 · Protein Science
45. Biochemical Characterization of a Haloalkane Dehalogenase DadB from Alcanivorax dieselolei B-5
    Anzhang Li, Zongze Shao · 2014 · PLoS ONE
46. Structural modelling and dynamics of proteins for insights into drug interactions
    Tim Werner, Michael B. Morris, Siavoush Dastmalchi, William Bret Church · 2011 · Advanced Drug Delivery Reviews
47. Discovery and Characterization of Terpenoid Biosynthetic Pathways of Fungi
    Grayson T. Wawrzyn, Sarah E. Bloch, Claudia Schmidt‐Dannert · 2012 · Methods in enzymology on CD-ROM/Methods in enzymology
48. Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies
    Anand Gaurav, Vertika Gautam · 2014 · Journal of Receptor Ligand and Channel Research
49. X-ray Crystallographic Structure of an Artificial β-Sheet Dimer
    Omid Khakshoor, Aaron J. Lin, Tyler Paz Korman, Michael R. Sawaya, Shiou‐Chuan Tsai, David S Eisenberg, James S. Nowick · 2010 · Journal of the American Chemical Society
50. Toll-like receptor 1 variations influence susceptibility and immune response to Mycobacterium tuberculosis
    Nickel Dittrich, Luis Carlos Berrocal-Almanza, Shruthi Thada, Surabhi Goyal, Hortense Slevogt, Gaddam Sumanlatha, Abid Hussain, Saubashya Sur, Sanne Burkert, Djin‐Ye Oh et al. · 2015 · Tuberculosis
51. Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site
    Zhongchuan Liu, Tian Xie, Qiuping Zhong, Ganggang Wang · 2016 · Acta Crystallographica Section F Structural Biology Communications
52. Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics
    Yuqun Xu, Lingwen Liu, Akira Nakamura, Shinichi Someya, Takuya Miyakawa, Masaru Tanokura · 2017 · Scientific Reports
53. Mechanism of OmpG pH-Dependent Gating from Loop Ensemble and Single Channel Studies
    Alan Perez-Rathke, Monifa A. Fahie, Christina Chisholm, Jie Liang, Min Chen · 2017 · Journal of the American Chemical Society
54. Staphylopine, pseudopaline, and yersinopine dehydrogenases: A structural and kinetic analysis of a new functional class of opine dehydrogenase
    Jeffrey S. McFarlane, Cara L. Davis, Audrey L. Lamb · 2018 · Journal of Biological Chemistry
55. PD-1-Targeted Discovery of Peptide Inhibitors by Virtual Screening, Molecular Dynamics Simulation, and Surface Plasmon Resonance
    Yuanqiang Wang, Haiqiong Guo, Zhiwei Feng, Siyi Wang, Yuxuan Wang, Qingxiu He, Guangping Li, Zhihua Lin, Xiang‐Qun Xie, Zhihua Lin · 2019 · Molecules
56. A leishmaniasis study: Structure-based screening and molecular dynamics mechanistic analysis for discovering potent inhibitors of spermidine synthase
    Abhinav Grover, Shashank Prakash Katiyar, Sanjeev Kumar Singh, Vikash Kumar Dubey, Durai Sundar · 2012 · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
57. Crystal Structure of SmcR, a Quorum-sensing Master Regulator of Vibrio vulnificus, Provides Insight into Its Regulation of Transcription
    Yoon-Jeong Kim, Byoung Sik Kim, Yujin Park, Won‐Chan Choi, Jungwon Hwang, Beom Sik Kang, Tae-Kwang Oh, Sang Ho Choi, Myung Hee Kim · 2010 · Journal of Biological Chemistry
58. Protease inhibitors derived from elafin and SLPI and engineered to have enhanced specificity towards neutrophil serine proteases
    Marie‐Louise Zani, Kévin Baranger, Nicolas Guyot, Sandrine Dallet‐Choisy, Thierry Moreau · 2009 · Protein Science
59. Differences in Activation of Aryl Hydrocarbon Receptors of White Sturgeon Relative to Lake Sturgeon Are Predicted by Identities of Key Amino Acids in the Ligand Binding Domain
    Jon A. Doering, Reza Farmahin, Steve B. Wiseman, Shawn C. Beitel, Sean W. Kennedy, John Paul Giesy, Markus Hecker · 2015 · Environmental Science & Technology
60. Structure of an Insecticide Sequestering Carboxylesterase from the Disease Vector Culex quinquefasciatus: What Makes an Enzyme a Good Insecticide Sponge?
    Davis H. Hopkins, Nicholas J Fraser, Peter D. Mabbitt, Paul D. Carr, John Graham Oakeshott, Colin J. Jackson · 2017 · Biochemistry
61. Cloning, functional expression, biochemical characterization, and structural analysis of a haloalkane dehalogenase from Plesiocystis pacifica SIR-1
    Martin Hesseler, Xenia Bogdanović, Aurélio Hidalgo, José Berenguer, Gottfried Julius Palm, Winfried Hinrichs, Uwe T. Bornscheuer · 2011 · Applied Microbiology and Biotechnology
62. Molecular docking of glucosamine-6-phosphate synthase in Rhizopus oryzae
    Kamalika Banerjee, Utkarsh Gupta, Sanjay Gupta, Gulshan Wadhwa, Reema Gabrani, Sanjeev Kumar Sharma, Chakresh Kumar Jain · 2011 · Bioinformation
63. Mdm38 is a 14‐3‐3‐Like Receptor and Associates with the Protein Synthesis Machinery at the Inner Mitochondrial Membrane
    Domenico Lupo, Christine Vollmer, Markus Deckers, David U. Mick, Ivo Tews, Irmgard Sinning, Peter Rehling · 2011 · Traffic
64. Structural modelling and transcriptional responses highlight a clade of PpKAI2-LIKE genes as candidate receptors for strigolactones in Physcomitrella patens
    Mauricio Lopez‐Obando, Caitlin E. Conn, Beate Hoffmann, Rohan Bythell‐Douglas, David C. Nelson, Catherine Rameau, Sandrine Bonhomme · 2016 · Planta
65. Crystal Structure of the Cofactor-Independent Monooxygenase SnoaB from Streptomyces nogalater : Implications for the Reaction Mechanism
    Thadée Grocholski, Hanna Koskiniemi, Ylva Lindqvist, Pekka Mäntsälä, Jarmo Niemi, Gunter Schneider · 2010 · Biochemistry
66. Overcoming the Inadequacies or Limitations of Experimental Structures as Drug Targets by Using Computational Modeling Tools and Molecular Dynamics Simulations
    Esther Marco, Federico Gago · 2007 · ChemMedChem
67. Enhancement of the antibiotic activity by quercetin against Staphylococcus aureus efflux pumps
    Joycy Francely Sampaio dos Santos, Saulo Relison Tintino, Ana R. P. da Silva, Cristina Rodrigues dos Santos Barbosa, Jackelyne Roberta Scherf, Zildene de Sousa Silveira, Thiago Sampaio de Freitas, Luiz Jardelino de Lacerda Neto, Luiz Marivando Barros, Irwin Rose Alencar de Menezes et al. · 2021 · Journal of Bioenergetics and Biomembranes
68. Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: Implications to tetramer stability and ligand-binding
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69. Structure of the type VI secretion phospholipase effector Tle1 provides insight into its hydrolysis and membrane targeting
    Haidai Hu, Honglin Zhang, Zengqiang Gao, Dongqi Wang, Guangfeng Liu, Jian‐Hua Xu, Ke Lan, Yuhui Dong · 2014 · Acta Crystallographica Section D Biological Crystallography
70. Crystal structure of hexanoyl-CoA bound to β-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
    Debajyoti Dutta, Sudipta Bhattacharyya, Amlan Roychowdhury, Rupam Biswas, Amit Kumar Das · 2012 · Biochemical Journal
71. Heterologous production of extreme alkaline thermostable NAD + -dependent formate dehydrogenase with wide-range pH activity from Myceliophthora thermophila
    Nilay Altaş, Aşkın Sevinç Aslan, Ersin Karataş, Evangelia G. Chronopoulou, Nikolaos E. Labrou, Barış Bi̇nay · 2017 · Process Biochemistry
72. Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations
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73. Sequential ligand- and structure-based virtual screening approach for the identification of potential G protein-coupled estrogen receptor-1 (GPER-1) modulators
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74. The structure of the bacterial iron–catecholate transporter Fiu suggests that it imports substrates via a two-step mechanism
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75. Odorant binding proteins promote flight activity in the migratory insect, Helicoverpa armigera
    Shang Wang, Melissa Minter, Rafael A. Homem, Louise V. Michaelson, Herbert Venthur, Ka S. Lim, Amy J. Withers, Jinghui Xi, Christopher M. Jones, Jing‐Jiang Zhou · 2020 · Molecular Ecology
76. Tetrahydrolipstatin Inhibition, Functional Analyses, and Three-dimensional Structure of a Lipase Essential for Mycobacterial Viability
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77. Role of Packing Defects in the Evolution of Allostery and Induced Fit in Human UDP-Glucose Dehydrogenase
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78. In silico analyses of superoxide dismutases (SODs) of rice (Oryza sativa L.)
    Budheswar Dehury, Kishore Sarma, Ranjan Sarmah, Jagajjit Sahu, Smita Sahoo, Mousumi Sahu, Priyabrata Sen, Mahendra Kumar Modi, Gauri Dutta Sharma, Manabendra Dutta Choudhury et al. · 2012 · Journal of Plant Biochemistry and Biotechnology
79. Crystal structure of soluble MD-1 and its interaction with lipid IVa
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80. Molecular principles behind pyrazinamide resistance due to mutations in panD gene in Mycobacterium tuberculosis
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81. Characterization of a polycyclic aromatic ring-hydroxylation dioxygenase from Mycobacterium sp. NJS-P
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82. Crystal Structure and Substrate Specificity Modification of Acetyl Xylan Esterase from Aspergillus luchuensis
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83. In silico molecular docking and ADME/T analysis of plant compounds against IL17A and IL18 targets in gouty arthritis
    Sowmya Hari · 2019 · Journal of Applied Pharmaceutical Science
84. Design, synthesis and pharmacological evaluation of pyrimidobenzothiazole-3-carboxylate derivatives as selective L-type calcium channel blockers
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85. 2-Keto acids based biosynthesis pathways for renewable fuels and chemicals
    Yohei Tashiro, Gabriel M. Rodriguez, Shota Atsumi · 2014 · Journal of Industrial Microbiology & Biotechnology
86. A putative low-molecular-mass penicillin-binding protein (PBP) of Mycobacterium smegmatis exhibits prominent physiological characteristics of dd-carboxypeptidase and beta-lactamase
    Ankita Bansal, Debasish Kar, Rajagopal Murugan, Sathi Mallick, Mouparna Dutta, Satya Deo Pandey, Chiranjit Chowdhury, Anindya Sundar Ghosh · 2015 · Microbiology
87. Combining specificity determining and conserved residues improves functional site prediction
    Olga V. Kalinina, Mikhail Sergeevich Gelfand, Robert B. Russell · 2009 · BMC Bioinformatics
88. Klebsiella phage KP34gp57 capsular depolymerase structure and function: from a serendipitous finding to the design of active mini-enzymes against K. pneumoniae
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89. Key Amino Acid Associated with Acephate Detoxification by Cydia pomonella Carboxylesterase Based on Molecular Dynamics with Alanine Scanning and Site-Directed Mutagenesis
    Xue Yang, Ji Yuan Liu, Xian Chun Li, Mao Hua Chen, Ya Lin Zhang · 2014 · Journal of Chemical Information and Modeling
90. Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain
    Benjamin T. Porebski, Adrian A. Nickson, David E. Hoke, Morag Rose Hunter, Liguang Zhu, Sheena McGowan, Geoffrey I. Webb, Ashley M. Buckle · 2015 · Protein Engineering Design and Selection
91. Enhancing protein-vitamin binding residues prediction by multiple heterogeneous subspace SVMs ensemble
    Dong‐Jun Yu, Jun Sheng Hu, Hui Yan, Xibei Yang, Jing-Yu Yang, Hong‐Bin Shen · 2014 · BMC Bioinformatics
92. Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates
    Jonathan R. Chekan, Joseph D. Koos, Chuhan Zong, Mikhail O. Maksimov, A. James Link, Satish K. Nair · 2016 · Journal of the American Chemical Society
93. Biochemical efficacy, molecular docking and inhibitory effect of 2, 3-dimethylmaleic anhydride on insect acetylcholinesterase
    Kabrambam Dasanta Singh, Rajendra Kumar Labala, Thiyam B. Devi, Ningthoujam Indrajit Singh, Heisnam D. Chanu, Sonia Sougrakpam, Nameirakpam Bunindro Singh, Dinabandhu Sahoo, Yallappa Rajashekar · 2017 · Scientific Reports
94. Computational Analysis of Protein Tunnels and Channels
    Jan Brezovský, Barbora Kozlíková, Jiřı́ Damborský · 2017 · Methods in molecular biology
95. An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems
    Yoelvis Orozco‐Gonzalez, Madushanka Manathunga, Marı́a del Carmen Marı́n, Damianos Agathangelou, Kwang‐Hwan Jung, Federico Melaccio, Nicolas Ferré, Stefan Haacke, Kaline Coutinho, Sylvio Canuto et al. · 2017 · Journal of Chemical Theory and Computation
96. A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora
    Marco Salomone‐Stagni, Joseph D. Bartho, Ivan Polsinelli, Dom Bellini, Martin Austin Walsh, Nicola Demitri, Stefano Benini · 2018 · Journal of Structural Biology
97. Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as “Doorstop” for NADPH Entry
    Ilaria Silvestri, Haining Lyu, Francesca Fata, Giovanna Boumis, Adriana Erica Miele, Matteo Ardini, Rodolfo Ippoliti, Andrea Bellelli, Ajit Jadhav, Wendy Lea et al. · 2018 · ACS Chemical Biology
98. Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations
    Md Fulbabu Sk, Rajarshi Roy, Parimal Kar · 2020 · Journal of Biomolecular Structure and Dynamics
99. Catalytic and structural diversity of the fluazifop-inducible glutathione transferases from Phaseolus vulgaris
    Evangelia G. Chronopoulou, Panagiotis B. Madesis, Basiliki Asimakopoulou, Dimitrios Platis, Athanasios S. Tsaftaris, Nikolaos E. Labrou · 2011 · Planta
100. Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics
     Ana Negri, Esther Marco, Jiřı́ Damborský, Federico Gago · 2007 · Journal of Molecular Graphics and Modelling