2J6X
 
 | | The crystal structure of lactate oxidase | | Descriptor: | FLAVIN MONONUCLEOTIDE, LACTATE OXIDASE, ZINC ION | | Authors: | Leiros, I, Wang, E, Rasmussen, T, Oksanen, E, Repo, H, Petersen, S.B, Heikinheimo, P, Hough, E. | | Deposit date: | 2006-10-05 | | Release date: | 2006-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1 A Structure of Aerococcus Viridans L-Lactate Oxidase (Lox).
Acta Crystallogr.,Sect.F, 62, 2006
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1C4W
 | | 1.9 A STRUCTURE OF A-THIOPHOSPHONATE MODIFIED CHEY D57C | | Descriptor: | CHEMOTAXIS PROTEIN CHEY | | Authors: | Halkides, C.J, McEvoy, M.M, Matsumura, P, Volz, K, Dahlquist, F.W. | | Deposit date: | 1999-09-28 | | Release date: | 2000-05-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The 1.9 A resolution crystal structure of phosphono-CheY, an analogue of the active form of the response regulator, CheY.
Biochemistry, 39, 2000
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4AJJ
 | | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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3T88
 | | Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA | | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | | Deposit date: | 2011-08-01 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member.
Biochemistry, 50, 2011
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2VDC
 | | THE 9.5 A RESOLUTION STRUCTURE OF GLUTAMATE SYNTHASE FROM CRYO-ELECTRON MICROSCOPY AND ITS OLIGOMERIZATION BEHAVIOR IN SOLUTION: FUNCTIONAL IMPLICATIONS. | | Descriptor: | 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Cottevieille, M, Larquet, E, Jonic, S, Petoukhov, M.V, Caprini, G, Paravisi, S, Svergun, D.I, Vanoni, M.A, Boisset, N. | | Deposit date: | 2007-10-04 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | The Subnanometer Resolution Structure of the Glutamate Synthase 1.2-Mda Hexamer by Cryoelectron Microscopy and its Oligomerization Behavior in Solution: Functional Implications.
J.Biol.Chem., 283, 2008
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2VNH
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5OIC
 | | InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol | | Descriptor: | 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Convery, M.A. | | Deposit date: | 2017-07-18 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5OM5
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1CW1
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3S7S
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2VNI
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1CW4
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4APN
 | | Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor | | Descriptor: | 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Ilari, A, Colotti, G, Biava, M. | | Deposit date: | 2012-04-04 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
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1RP7
 | | E. COLI PYRUVATE DEHYDROGENASE INHIBITOR COMPLEX | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | | Authors: | Arjunan, P, Chandrasekhar, K, Furey, W. | | Deposit date: | 2003-12-03 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Determinants of Enzyme Binding Affinity: The E1 Component of Pyruvate Dehydrogenase from Escherichia coli in Complex with the Inhibitor Thiamin Thiazolone Diphosphate.
Biochemistry, 43, 2004
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2IEA
 | | E. coli pyruvate dehydrogenase | | Descriptor: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE | | Authors: | Furey, W, Arjunan, P. | | Deposit date: | 2006-09-18 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution.
Biochemistry, 41, 2002
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6BL4
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2017-11-09 | | Release date: | 2018-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
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5DKS
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol | | Descriptor: | 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-03 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5A3U
 | | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | Descriptor: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | | Authors: | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | | Deposit date: | 2015-06-03 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
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2V0M
 | | Crystal structure of human P450 3A4 in complex with ketoconazole | | Descriptor: | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sjogren, T, Ekroos, M. | | Deposit date: | 2007-05-15 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
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1NR6
 | | MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wester, M.R, Johnson, E.F, Stout, C.D. | | Deposit date: | 2003-01-23 | | Release date: | 2003-08-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding
Biochemistry, 42, 2003
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1BPW
 | | BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ALDEHYDE DEHYDROGENASE) | | Authors: | Johansson, K, El Ahmad, M, Ramaswamy, S, Hjelmqvist, L, Jornvall, H, Eklund, H. | | Deposit date: | 1998-08-12 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of betaine aldehyde dehydrogenase at 2.1 A resolution.
Protein Sci., 7, 1998
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1KS9
 | | Ketopantoate Reductase from Escherichia coli | | Descriptor: | 2-DEHYDROPANTOATE 2-REDUCTASE | | Authors: | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2002-01-11 | | Release date: | 2002-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism.
Biochemistry, 40, 2001
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2VM2
 | | Crystal structure of barley thioredoxin h isoform 1 crystallized using PEG as precipitant | | Descriptor: | THIOREDOXIN H ISOFORM 1. | | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | | Deposit date: | 2008-01-21 | | Release date: | 2008-04-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
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1SUO
 | | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | | Deposit date: | 2004-03-26 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
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4BMN
 | | apo structure of short-chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 | | Descriptor: | 1,2-ETHANEDIOL, ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Man, H, Kulig, J, Rother, D, Grogan, G. | | Deposit date: | 2013-05-10 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones
Top.Catal., 57, 2014
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