PDB: 237992 件ウェブページステータス検索Chemie searchBIRD

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4JZR	Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors 分子名称: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... 著者 Ma, Y, Yang, L. 登録日 2013-04-03 公開日 2013-10-30 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors Bioorg.Med.Chem., 21, 2013
4LII	Crystal structure of an apoptosis-inducing factor, mitochondrion-associated, 1 (AIFM1) from Homo sapiens at 1.88 A resolution 分子名称: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ... 著者 Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL) 登録日 2013-07-02 公開日 2013-09-04 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Crystal structure of an apoptosis-inducing factor, mitochondrion-associated, 1 (AIFM1) from Homo sapiens at 1.88 A resolution To be published
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
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
3NW4	Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex 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 2010-07-09 公開日 2011-07-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 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
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
3JSX	X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 分子名称: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 著者 Dunstan, M.S, Levy, C, Leys, D. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J.Med.Chem., 52, 2009
1ODW	Native HIV-1 Proteinase 分子名称: HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate 著者 Thanki, N, Kervinen, J, 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 (2.1 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
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
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
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
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
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
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
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
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
1HPV	CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH VX-478, A POTENT AND ORALLY BIOAVAILABLE INHIBITOR OF THE ENZYME 分子名称: HIV-1 PROTEASE, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER 著者 Kim, E.E. 登録日 1994-11-18 公開日 1995-03-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme J.Am.Chem.Soc., 117, 1995
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
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
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
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
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
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
2ORP	Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex 分子名称: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... 著者 Adler, M, Whitlow, M. 登録日 2007-02-04 公開日 2007-04-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
2ORT	Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex 分子名称: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ... 著者 Adler, M, Whitlow, M. 登録日 2007-02-04 公開日 2007-04-17 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007

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