8SG5
 
 | | Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-04-11 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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8SPD
 | | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-05-02 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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6MJM
 | | Substrate Free Cytochrome P450 3A5 (CYP3A5) | | 分子名称: | Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2018-09-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
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5TFT
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | 分子名称: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2016-09-26 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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5TFU
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | 分子名称: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2016-09-26 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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2PG5
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
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2PG6
 | | Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q | | 分子名称: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
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2PG7
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V | | 分子名称: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
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1ZJG
 | | 13mer-co | | 分子名称: | 5'-D(*AP*TP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*CP*A)-3', COBALT HEXAMMINE(III), ... | | 著者 | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | | 登録日 | 2005-04-28 | | 公開日 | 2005-05-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site.
J.Mol.Biol., 349, 2005
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1ZJF
 | | 12mer-spd-P4N | | 分子名称: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | | 著者 | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | | 登録日 | 2005-04-28 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site.
J.Mol.Biol., 349, 2005
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1Z10
 | | Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound | | 分子名称: | COUMARIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F. | | 登録日 | 2005-03-02 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
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1Z11
 | | Crystal Structure of Human Microsomal P450 2A6 with Methoxsalen Bound | | 分子名称: | METHOXSALEN, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450, ... | | 著者 | Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F. | | 登録日 | 2005-03-02 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
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1ZJE
 | | 12mer-spd | | 分子名称: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | | 著者 | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | | 登録日 | 2005-04-28 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site.
J.Mol.Biol., 349, 2005
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5VEU
 | | Human Cytochrome P450 3A5 (CYP3A5) | | 分子名称: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | | 著者 | Hsu, M.-H, Johnson, E.F. | | 登録日 | 2017-04-05 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
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5T6Q
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7SV2
 | | Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin | | 分子名称: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M, Johnson, E.F. | | 登録日 | 2021-11-18 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5.
J.Biol.Chem., 298, 2022
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5W0C
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3QM4
 | | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | | 分子名称: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
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6C94
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6C93
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5T1W
 | | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, CHLORIDE ION, ... | | 著者 | Parris, K.D, Vajdos, F. | | 登録日 | 2016-08-22 | | 公開日 | 2017-01-11 | | 最終更新日 | 2017-01-25 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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5T1U
 | | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | | 分子名称: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | 著者 | Parris, K.D, Vajdos, F. | | 登録日 | 2016-08-22 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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