1ODX
 
 | | HIV-1 Proteinase mutant A71T, V82A | | 分子名称: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | 著者 | Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A. | | 登録日 | 1996-09-16 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
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5FZM
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | 登録日 | 2016-03-14 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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1HVJ
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | 著者 | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | 登録日 | 1994-01-26 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1HVI
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | 著者 | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | 登録日 | 1994-01-26 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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4LII
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3K4F
 | | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | | 分子名称: | 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | | 著者 | Rahman, M.N, Jia, Z. | | 登録日 | 2009-10-05 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Heme Oxygenase Inhibition by 2-Oxy-substituted 1-Azolyl-4-phenylbutanes: Effect of Variation of the Azole Moiety. X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone.
Chem.Biol.Drug Des., 75, 2010
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1HPV
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1HVK
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | 著者 | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | 登録日 | 1994-01-26 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1HVL
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | 著者 | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | 登録日 | 1994-01-26 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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4A27
 | | Crystal structure of human synaptic vesicle membrane protein VAT-1 homolog-like protein | | 分子名称: | 1,2-ETHANEDIOL, SYNAPTIC VESICLE MEMBRANE PROTEIN VAT-1 HOMOLOG-LIKE | | 著者 | Vollmar, M, Shafqat, N, Muniz, J.R.C, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Yue, W.W, Oppermann, U. | | 登録日 | 2011-09-22 | | 公開日 | 2011-10-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of Human Synaptic Vesicle Membrane Protein Vat-1 Homolog-Like Protein
To be Published
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1MTR
 | | HIV-1 PROTEASE COMPLEXED WITH A CYCLIC PHE-ILE-VAL PEPTIDOMIMETIC INHIBITOR | | 分子名称: | HIV-1 PROTEASE, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Wickramasinghe, W, Begun, J, Martin, J.L. | | 登録日 | 1996-02-15 | | 公開日 | 1996-08-01 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode.
J.Am.Chem.Soc., 118, 1996
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4FAG
 | | Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate | | 分子名称: | 2,5-dihydroxybenzoic acid, FE (III) ION, GLYCEROL, ... | | 著者 | Ferraroni, M, Briganti, F, Matera, I. | | 登録日 | 2012-05-22 | | 公開日 | 2012-09-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
J.Struct.Biol., 180, 2012
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3N9T
 | | Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4 | | 分子名称: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, CITRATE ANION, FE (III) ION, ... | | 著者 | Liu, W, Shen, W, Fang, P, Li, J, Cui, Z. | | 登録日 | 2010-05-31 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
To be Published
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3USE
 | | Crystal Structure of E. coli hydrogenase-1 in its as-isolated form | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | 登録日 | 2011-11-23 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3NJZ
 | | Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with salicylate | | 分子名称: | 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ... | | 著者 | Ferraroni, M, Briganti, F, Matera, I. | | 登録日 | 2010-06-18 | | 公開日 | 2011-07-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases.
J.Struct.Biol., 177, 2012
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3NL1
 | | Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with gentisate | | 分子名称: | 2,5-dihydroxybenzoic acid, FE (II) ION, GLYCEROL, ... | | 著者 | Ferraroni, M, Briganti, F, Matera, I. | | 登録日 | 2010-06-21 | | 公開日 | 2011-07-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.155 Å) | | 主引用文献 | Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases.
J.Struct.Biol., 177, 2012
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4HM2
 | | Naphthalene 1,2-Dioxygenase bound to ethylphenylsulfide | | 分子名称: | (ethylsulfanyl)benzene, 1,2-ETHANEDIOL, FE (III) ION, ... | | 著者 | Ferraro, D.J, Ramaswamy, S. | | 登録日 | 2012-10-17 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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3NST
 | | Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans | | 分子名称: | FE (II) ION, GLYCEROL, Gentisate 1,2-dioxygenase | | 著者 | Ferraroni, M, Briganti, F, Matera, I. | | 登録日 | 2010-07-02 | | 公開日 | 2011-07-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
FEBS J., 280, 2013
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4HM8
 | | Naphthalene 1,2-Dioxygenase bound to thioanisole | | 分子名称: | (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FE (III) ION, ... | | 著者 | Ferraro, D.J, Ramaswamy, S. | | 登録日 | 2012-10-17 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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1KBQ
 | | Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) | | 分子名称: | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | 著者 | Faig, M, Bianchet, M.A, Amzel, L.M. | | 登録日 | 2001-11-06 | | 公開日 | 2002-01-16 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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1KBO
 | | Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340) | | 分子名称: | 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | 著者 | Faig, M, Bianchet, M.A, Amzel, L.M. | | 登録日 | 2001-11-06 | | 公開日 | 2002-01-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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1KNF
 | | Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 3-methyl Catechol under Anaerobic Condition | | 分子名称: | 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, 3-METHYLCATECHOL, FE (II) ION, ... | | 著者 | Han, S, Bolin, J.T. | | 登録日 | 2001-12-18 | | 公開日 | 2002-03-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular basis for the stabilization and inhibition of 2, 3-dihydroxybiphenyl 1,2-dioxygenase by t-butanol.
J.Biol.Chem., 273, 1998
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3TH1
 | | Crystal structure of chlorocatechol 1,2-dioxygenase from Pseudomonas putida | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ACETATE ION, Chlorocatechol 1,2-dioxygenase, ... | | 著者 | Rustiguel, J.K, Nonato, M.C. | | 登録日 | 2011-08-18 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Crystal Structure of chlorocatechol 1,2-dioxygenase from Pseudomonas putida
To be Published
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3UQY
 | | H2-reduced structure of E. coli hydrogenase-1 | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | 登録日 | 2011-11-21 | | 公開日 | 2012-03-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4HM1
 | | Naphthalene 1,2-Dioxygenase bound to 1-indanone | | 分子名称: | 1,2-ETHANEDIOL, 2,3-dihydro-1H-inden-1-one, FE (III) ION, ... | | 著者 | Ferraro, D.J, Ramaswamy, S. | | 登録日 | 2012-10-17 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Naphthalene 1,2-Dioxygenase bound to 1-indanone
To be Published
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