Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4APY
DownloadVisualize
BU of 4apy by Molmil
Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ...
著者Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R.
登録日2012-04-09
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
6UX0
DownloadVisualize
BU of 6ux0 by Molmil
Isavuconazole bound complex of Acanthamoeba castellanii CYP51
分子名称: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ...
著者Sharma, V, Podust, L.M.
登録日2019-11-06
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
6UPI
DownloadVisualize
BU of 6upi by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe
分子名称: (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE
著者Nguyen, R.C.D, Yang, Y, Liu, A.
登録日2019-10-17
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
6T0F
DownloadVisualize
BU of 6t0f by Molmil
Crystal structure of CYP124 in complex with cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
3ZK5
DownloadVisualize
BU of 3zk5 by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group
分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-01-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
6UNG
DownloadVisualize
BU of 6ung by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2019-10-11
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6UNJ
DownloadVisualize
BU of 6unj by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2019-10-12
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6UNM
DownloadVisualize
BU of 6unm by Molmil
CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2019-10-12
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6UEZ
DownloadVisualize
BU of 6uez by Molmil
Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol
分子名称: LANOSTEROL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2019-09-23
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A requirement for an active proton delivery network supports a compound I-mediated C-C bond cleavage in CYP51 catalysis.
J.Biol.Chem., 295, 2020
6UDM
DownloadVisualize
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
4C9P
DownloadVisualize
BU of 4c9p by Molmil
Structure of camphor bound T260A mutant of CYP101D1
分子名称: CAMPHOR, CYTOCHROME P450, GLYCEROL, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4BJK
DownloadVisualize
BU of 4bjk by Molmil
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
分子名称: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-04-18
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
J.Med.Chem., 56, 2013
6TET
DownloadVisualize
BU of 6tet by Molmil
The structure of CYP121 in complex with inhibitor L21
分子名称: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49986887 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TEV
DownloadVisualize
BU of 6tev by Molmil
The structure of CYP121 in complex with inhibitor L44
分子名称: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.70001268 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TE7
DownloadVisualize
BU of 6te7 by Molmil
The structure of CYP121 in complex with inhibitor S2
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-11
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.50001824 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6VBY
DownloadVisualize
BU of 6vby by Molmil
Cinnamate 4-hydroxylase (C4H1) from Sorghum bicolor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cinnamic acid 4-hydroxylase, GLYCEROL, ...
著者Zhang, B, Kang, C, Lewis, K.M.
登録日2019-12-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function of the Cytochrome P450 Monooxygenase Cinnamate 4-hydroxylase fromSorghum bicolor.
Plant Physiol., 183, 2020
4C9L
DownloadVisualize
BU of 4c9l by Molmil
Structure of Cyanide and Camphor bound wild type CYP101D1
分子名称: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4BMM
DownloadVisualize
BU of 4bmm by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
分子名称: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M.
登録日2013-05-09
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
6VLT
DownloadVisualize
BU of 6vlt by Molmil
Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shah, M.B.
登録日2020-01-25
公開日2020-09-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism.
Mol.Pharmacol., 98, 2020
6VJX
DownloadVisualize
BU of 6vjx by Molmil
The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
分子名称: 4-(2-methylpropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Doherty, Z.D, Bell, S.G, Bruning, J.
登録日2020-01-18
公開日2021-01-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
To Be Published
3ZPI
DownloadVisualize
BU of 3zpi by Molmil
PikC D50N mutant in P21 space group
分子名称: 1,2-ETHANEDIOL, CYTOCHROME P450 HYDROXYLASE PIKC, FORMIC ACID, ...
著者Podust, L.M.
登録日2013-02-27
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Recognition of Synthetic Substrates by P450 Pikc
To be Published
4BY0
DownloadVisualize
BU of 4by0 by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R.
登録日2013-07-16
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi
Acs Med.Chem.Lett., 5, 2014
4C9M
DownloadVisualize
BU of 4c9m by Molmil
Structure of substrate free, glycerol bound wild type CYP101D1
分子名称: CYTOCHROME P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C0C
DownloadVisualize
BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-01
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4C9K
DownloadVisualize
BU of 4c9k by Molmil
Structure of Camphor and Hydroxycamphor bound wild type CYP101D1
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013

221371

件を2024-06-19に公開中

PDB statisticsPDBj update infoContact PDBjnumon