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BU of 6rq3 by Molmil

CYP121 in complex with 2,6-dimethyl dicyclotyrosine
分子名称:	(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
著者	Poddar, H, Levy, C.
登録日	2019-05-15
公開日	2020-04-22
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019

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BU of 6rqe by Molmil

CYP121 in complex with 3-acetylene dicyclotyrosine
分子名称:	3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Poddar, H, Levy, C.
登録日	2019-05-15
公開日	2020-04-22
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.37 Å)
主引用文献	Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019

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BU of 5ibh by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
分子名称:	4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.0201 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibg by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
分子名称:	3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibf by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a
分子名称:	4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibi by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
分子名称:	4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibe by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.624 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibj by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
分子名称:	4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 5ibd by Molmil

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
分子名称:	4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者	Levy, C.
登録日	2016-02-22
公開日	2016-04-06
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.77 Å)
主引用文献	Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016

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BU of 3cb0 by Molmil

CobR
分子名称:	4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE, FLAVIN MONONUCLEOTIDE
著者	Lawrence, A.D, Warren, M.J, Pickersgill, R.W.
登録日	2008-02-21
公開日	2008-03-11
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Identification, characterization, and structure/function analysis of a corrin reductase involved in adenosylcobalamin biosynthesis J.Biol.Chem., 283, 2008

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BU of 4g2g by Molmil

Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
分子名称:	4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
著者	Hudson, S.A.
登録日	2012-07-12
公開日	2012-09-05
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012

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BU of 4g1x by Molmil

Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
分子名称:	4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
著者	Hudson, S.A.
登録日	2012-07-11
公開日	2012-09-05
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012

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