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6OYV
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BU of 6oyv by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol
分子名称: Cytochrome P450 1B1, ESTRADIOL, PROTOPORPHYRIN IX CONTAINING FE
著者Bart, A.G, Scott, E.E.
登録日2019-05-15
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
6O5Y
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BU of 6o5y by Molmil
Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
分子名称: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ...
著者Bart, A.G, Scott, E.E.
登録日2019-03-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020
6OYU
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BU of 6oyu by Molmil
Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ...
著者Bart, A.G, Harris, K.L, Scott, E.E.
登録日2019-05-15
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
分子名称: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Meneely, K.M, Porubsky, P.R, Scott, E.E.
登録日2008-08-11
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
6UDL
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BU of 6udl by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700
分子名称: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone
著者Bart, A.G, Scott, E.E.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6UDM
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BU of 6udm by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bart, A.G, Scott, E.E.
登録日2019-09-19
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.075 Å)
主引用文献Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6DWM
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BU of 6dwm by Molmil
Structure of Human Cytochrome P450 1A1 with Bergamottin
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ...
著者Bart, A.G, Scott, E.E.
登録日2018-06-26
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
6DWN
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BU of 6dwn by Molmil
Structure of Human Cytochrome P450 1A1 with Erlotinib
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bart, A.G, Scott, E.E.
登録日2018-06-26
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
3RUK
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BU of 3ruk by Molmil
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者DeVore, N.M, Scott, E.E.
登録日2011-05-05
公開日2012-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
8EOH
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BU of 8eoh by Molmil
crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid
分子名称: 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, J, Scott, E.E.
登録日2022-10-03
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281.
J.Biol.Chem., 299, 2023
3GPH
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BU of 3gph by Molmil
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
分子名称: 10-(1H-imidazol-1-yl)decanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Porubsky, P.R, Battaile, K.P, Scott, E.E.
登録日2009-03-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3ITQ
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BU of 3itq by Molmil
Crystal Structure of a Prolyl 4-Hydroxylase from Bacillus anthracis
分子名称: GLYCEROL, PHOSPHATE ION, Prolyl 4-hydroxylase, ...
著者Culpepper, M.A, Scott, E.E, Limburg, J.
登録日2009-08-28
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of prolyl 4-hydroxylase from Bacillus anthracis.
Biochemistry, 49, 2010
7LYX
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BU of 7lyx by Molmil
Crystal structure of human CYP8B1 in complex with (S)-tioconazole
分子名称: (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ...
著者Liu, J, Scott, E.E.
登録日2021-03-08
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
1MDN
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BU of 1mdn by Molmil
WILD TYPE MYOGLOBIN WITH CO
分子名称: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-12
公開日1998-09-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1M6M
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BU of 1m6m by Molmil
V68N MET MYOGLOBIN
分子名称: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-13
公開日1998-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MNO
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BU of 1mno by Molmil
V68N MYOGLOBIN OXY FORM
分子名称: OXYGEN MOLECULE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-13
公開日1998-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1M6C
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BU of 1m6c by Molmil
V68N MYOGLOBIN WITH CO
分子名称: CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-12
公開日1998-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MWD
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BU of 1mwd by Molmil
WILD TYPE DEOXY MYOGLOBIN
分子名称: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, A.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-11
公開日1998-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MWC
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BU of 1mwc by Molmil
WILD TYPE MYOGLOBIN WITH CO
分子名称: CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
登録日1998-08-12
公開日1998-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
3T3R
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BU of 3t3r by Molmil
Human Cytochrome P450 2A6 in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3T3Q
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BU of 3t3q by Molmil
Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3T3S
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BU of 3t3s by Molmil
Human Cytochrome P450 2A13 in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3SWZ
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BU of 3swz by Molmil
Human Cytochrome P450 17A1 in complex with TOK-001
分子名称: (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者DeVore, N.M, Scott, E.E.
登録日2011-07-14
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
3T3Z
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BU of 3t3z by Molmil
Human Cytochrome P450 2E1 in complex with pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Meneely, K.M, DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
4MQ4
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BU of 4mq4 by Molmil
Crystal Structure of hPNMT in Complex with bisubstrate inhibitor N-(3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine, Phenylethanolamine N-methyltransferase
著者Bart, A.G, Scott, E.E.
登録日2013-09-15
公開日2014-10-15
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.2042 Å)
主引用文献To be Published
To be Published

222926

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