PDB: 1731 件ウェブページステータス検索Chemie searchBIRD

---

5ESL	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structures of lanosterol 14-alpha demethylase mutants. To Be Published
5ESN	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structures of lanosterol 14-alpha demethylase mutants. To Be Published
5ESM	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of lanosterol 14-alpha demethylase mutants. To Be Published
6IQ5	Crystal Structure of CYP1B1 and Inhibitor Having Azide Group 分子名称: 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE 著者 Kubo, M, Yamamoto, K, Itoh, T. 登録日 2018-11-06 公開日 2019-01-30 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone. Bioorg. Med. Chem., 27, 2019
4FDH	Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole 分子名称: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ... 著者 Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. 登録日 2012-05-28 公開日 2013-01-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Structural insights into aldosterone synthase substrate specificity and targeted inhibition. Mol.Endocrinol., 27, 2013
4DNZ	The crystal structures of CYP199A4 分子名称: CHLORIDE ION, Cytochrome P450, GLYCEROL, ... 著者 Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. 登録日 2012-02-09 公開日 2012-08-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site Dalton Trans, 41, 2012
4EGN	The X-ray crystal structure of CYP199A4 in complex with veratric acid 分子名称: 3,4-dimethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
2H6P	Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY 分子名称: 9 mer peptide from Cytochrome P450, Beta-2-microglobulin, HLA-B35 著者 Archbold, J.K, Macdonald, W.A, Rossjohn, J. 登録日 2006-05-31 公開日 2006-09-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Alloreactivity between disparate cognate and allogeneic pMHC-I complexes is the result of highly focused, peptide-dependent structural mimicry J.Biol.Chem., 281, 2006
4EGP	The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid 分子名称: CHLORIDE ION, Cytochrome P450, GLYCEROL, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
4EGO	The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid 分子名称: 1H-indole-6-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
4EGM	The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
3B99	Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605 分子名称: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase 著者 Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. 登録日 2007-11-03 公開日 2007-11-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
3B98	Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase 著者 Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. 登録日 2007-11-03 公開日 2007-11-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
7Y9O	Crystal structure of a CYP109B4 variant from Bacillus sonorensis 分子名称: CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... 著者 Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. 登録日 2022-06-25 公開日 2023-05-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
4DNJ	The crystal structures of 4-methoxybenzoate bound CYP199A2 分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. 登録日 2012-02-08 公開日 2012-08-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site Dalton Trans, 41, 2012
2WH8	Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines 分子名称: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 著者 Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. 登録日 2009-05-01 公開日 2009-07-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
2WHF	Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines 分子名称: 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 著者 Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. 登録日 2009-05-04 公開日 2009-07-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
8DSG	P411-PFA carbene transferase 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ... 著者 Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H. 登録日 2022-07-22 公開日 2023-03-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases. Nat Catal, 6, 2023
2XKR	Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase 分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, TETRAETHYLENE GLYCOL 著者 Driscoll, M, McLean, K.J, Levy, C.W, Lafite, P, Mast, N, Pikuleva, I.A, Rigby, S.E.J, Leys, D, Munro, A.W. 登録日 2010-07-12 公開日 2010-09-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen. J.Biol.Chem., 285, 2010
8GDI	X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol 分子名称: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE 著者 Ghith, A, Bruning, J.B, Bell, S.G. 登録日 2023-03-06 公開日 2023-05-24 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum. J.Steroid Biochem.Mol.Biol., 231, 2023
3CLI	Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution 分子名称: Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE 著者 Lee, D.-S, Nioche, P, Raman, C.S. 登録日 2008-03-19 公開日 2008-08-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes Nature, 455, 2008
3OFT	Crystal Structure of Cytochrome P450 CYP101C1 分子名称: (2R,5R)-hexane-2,5-diol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. 登録日 2010-08-16 公開日 2011-07-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem, 12, 2011
3OFU	Crystal Structure of Cytochrome P450 CYP101C1 分子名称: (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. 登録日 2010-08-16 公開日 2011-05-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem, 12, 2011
4B7S	PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group 分子名称: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Podust, L.M. 登録日 2012-08-21 公開日 2013-08-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
4ZGX	Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide 分子名称: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ... 著者 Kuglstatter, A, Joseph, C. 登録日 2015-04-24 公開日 2015-10-07 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J.Med.Chem., 58, 2015

<40414243444546474849505152535455>