1M9Q
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![BU of 1m9q by Molmil](/molmil-images/mine/1m9q) | human endothelial nitric oxide synthase with 5-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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3V6O
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![BU of 3v6o by Molmil](/molmil-images/mine/3v6o) | Leptin Receptor-antibody complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J. | Deposit date: | 2011-12-20 | Release date: | 2012-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody. Structure, 20, 2012
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2J47
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![BU of 2j47 by Molmil](/molmil-images/mine/2j47) | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor | Descriptor: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL | Authors: | Dennis, R.J, Davies, G.J. | Deposit date: | 2006-08-25 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor Chem. Commun., 42, 2006
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3EBF
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![BU of 3ebf by Molmil](/molmil-images/mine/3ebf) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1MDU
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![BU of 1mdu by Molmil](/molmil-images/mine/1mdu) | Crystal structure of the chicken actin trimer complexed with human gelsolin segment 1 (GS-1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Dawson, J.F, Sablin, E.P, Spudich, J.A, Fletterick, R.J. | Deposit date: | 2002-08-07 | Release date: | 2003-01-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of an F-actin trimer disrupted by gelsolin and implications for the mechanism of severing J.Biol.Chem., 278, 2003
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1WUU
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![BU of 1wuu by Molmil](/molmil-images/mine/1wuu) | crystal structure of human galactokinase complexed with MgAMPPNP and galactose | Descriptor: | Galactokinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Thoden, J.B, Timson, D.J, Reece, R.J, Holden, H.M. | Deposit date: | 2004-12-08 | Release date: | 2004-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Structure of Human Galactokinase: IMPLICATIONS FOR TYPE II GALACTOSEMIA J.Biol.Chem., 280, 2005
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1MLB
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![BU of 1mlb by Molmil](/molmil-images/mine/1mlb) | MONOCLONAL ANTIBODY FAB D44.1 RAISED AGAINST CHICKEN EGG-WHITE LYSOZYME | Descriptor: | IGG1-KAPPA D44.1 FAB (HEAVY CHAIN), IGG1-KAPPA D44.1 FAB (LIGHT CHAIN) | Authors: | Braden, B.C, Souchon, H, Eisele, J.-L, Bentley, G.A, Bhat, T.N, Navaza, J, Poljak, R.J. | Deposit date: | 1995-03-08 | Release date: | 1995-06-03 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three-dimensional structures of the free and the antigen-complexed Fab from monoclonal anti-lysozyme antibody D44.1. J.Mol.Biol., 243, 1994
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1MOV
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![BU of 1mov by Molmil](/molmil-images/mine/1mov) | Crystal structure of Coral protein mutant | Descriptor: | GFP-like non-fluorescent chromoprotein, IODIDE ION | Authors: | Prescott, M, Ling, M, Beddoe, T, Oakley, A.J, Dove, S, Hoegh-Guldberg, O, Devenish, R.J, Rossjohn, J. | Deposit date: | 2002-09-10 | Release date: | 2003-04-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The 2.2 a crystal structure of a pocilloporin pigment reveals a nonplanar chromophore conformation. Structure, 11, 2003
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3E7S
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![BU of 3e7s by Molmil](/molmil-images/mine/3e7s) | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1MPW
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![BU of 1mpw by Molmil](/molmil-images/mine/1mpw) | Molecular Recognition in (+)-a-Pinene Oxidation by Cytochrome P450cam | Descriptor: | (+)-alpha-Pinene, CYTOCHROME P450CAM, POTASSIUM ION, ... | Authors: | Bell, S.G, Chen, X, Sowden, R.J, Xu, F, Willams, J.N, Wong, L.-L, Rao, Z. | Deposit date: | 2002-09-13 | Release date: | 2002-10-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Molecular recognition in (+)-alpha-pinene oxidation by cytochrome P450cam J.Am.Chem.Soc., 125, 2003
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1MOW
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![BU of 1mow by Molmil](/molmil-images/mine/1mow) | E-DreI | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*G)-3', 5'-D(*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', GLYCEROL, ... | Authors: | Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2002-09-10 | Release date: | 2002-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Activity and Structure of a Highly Specific Artificial Endonuclease Mol.Cell, 10, 2002
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3EJ8
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![BU of 3ej8 by Molmil](/molmil-images/mine/3ej8) | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-09-17 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1MPS
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![BU of 1mps by Molmil](/molmil-images/mine/1mps) | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH PHE M 197 REPLACED WITH ARG AND TYR M 177 REPLACED WITH PHE (CHAIN M, Y177F, F197R) | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Mcauley-Hecht, K.E, Fyfe, P.K, Ridge, J.P, Prince, S, Hunter, C.N, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | Deposit date: | 1998-03-09 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural studies of wild-type and mutant reaction centers from an antenna-deficient strain of Rhodobacter sphaeroides: monitoring the optical properties of the complex from bacterial cell to crystal. Biochemistry, 37, 1998
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3E6O
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![BU of 3e6o by Molmil](/molmil-images/mine/3e6o) | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3VG0
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![BU of 3vg0 by Molmil](/molmil-images/mine/3vg0) | Antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Monoclonal antibody 9F8 Fab fragment H chain, ... | Authors: | Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J. | Deposit date: | 2012-01-10 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody. Structure, 20, 2012
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1WN4
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![BU of 1wn4 by Molmil](/molmil-images/mine/1wn4) | NMR Structure of VoNTR | Descriptor: | VoNTR protein | Authors: | Dutton, J.L, Renda, R.F, Waine, C, Clark, R.J, Daly, N.L, Jennings, C.V, Anderson, M.A, Craik, D.J. | Deposit date: | 2004-07-27 | Release date: | 2004-09-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Conserved structural and sequence elements implicated in the processing of gene-encoded circular proteins J.Biol.Chem., 279, 2004
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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5ZVG
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![BU of 5zvg by Molmil](/molmil-images/mine/5zvg) | |
4AYM
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![BU of 4aym by Molmil](/molmil-images/mine/4aym) | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 3 P106A mutant | Descriptor: | COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | Authors: | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | Deposit date: | 2012-06-21 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules. Plos Pathog., 8, 2012
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1N26
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![BU of 1n26 by Molmil](/molmil-images/mine/1n26) | Crystal Structure of the extra-cellular domains of Human Interleukin-6 Receptor alpha chain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Varghese, J.N, Moritz, R.L, Lou, M.-Z, van Donkelaar, A, Ji, H, Ivancic, N, Branson, K.M, Hall, N.E, Simpson, R.J. | Deposit date: | 2002-10-22 | Release date: | 2002-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the extracellular domains of the human interleukin-6 receptor alpha-chain. Proc.Natl.Acad.Sci.USA, 99, 2002
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4AYD
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![BU of 4ayd by Molmil](/molmil-images/mine/4ayd) | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 1 R106A mutant | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | Authors: | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | Deposit date: | 2012-06-20 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules Plos Pathog., 8, 2012
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3F41
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![BU of 3f41 by Molmil](/molmil-images/mine/3f41) | Structure of the tandemly repeated protein tyrosine phosphatase like phytase from Mitsuokella multacida | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Phytase | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | Deposit date: | 2008-10-31 | Release date: | 2009-06-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of a multifunctional, tandemly repeated inositol polyphosphatase. J.Mol.Biol., 392, 2009
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3F5C
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![BU of 3f5c by Molmil](/molmil-images/mine/3f5c) | Structure of Dax-1:LRH-1 complex | Descriptor: | Nuclear receptor subfamily 0 group B member 1, Nuclear receptor subfamily 5 group A member 2 | Authors: | Fletterick, R.J, Sablin, E.P. | Deposit date: | 2008-11-03 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of corepressor Dax-1 bound to its target nuclear receptor LRH-1. Proc.Natl.Acad.Sci.USA, 105, 2008
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5ZVE
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![BU of 5zve by Molmil](/molmil-images/mine/5zve) | |
3VEH
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![BU of 3veh by Molmil](/molmil-images/mine/3veh) | Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-01-08 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. Biochemistry, 51, 2012
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