Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1370 件
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
5TE8
DownloadVisualize
BU of 5te8 by Molmil
Crystal structure of the midazolam-bound human CYP3A4
分子名称: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I, Poulos, T.
登録日2016-09-20
公開日2016-12-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
5T6Q
DownloadVisualize
BU of 5t6q by Molmil
Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty acid omega-hydroxylase with a covalently bound heme
分子名称: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M, Johnson, E.F.
登録日2016-09-01
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for omega-Hydroxylation.
J. Biol. Chem., 292, 2017
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
5UDA
DownloadVisualize
BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
著者Shah, M.B, Halpert, J.R.
登録日2016-12-24
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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
5UFG
DownloadVisualize
BU of 5ufg by Molmil
Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide
分子名称: (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-01-04
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
5UCW
DownloadVisualize
BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
分子名称: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, R.K, Buller, A.R, Arnold, F.H.
登録日2016-12-22
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
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
5TL8
DownloadVisualize
BU of 5tl8 by Molmil
Naegleria fowleri CYP51-posaconazole complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ...
著者Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A.
登録日2016-10-10
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution
To be published
5TFU
DownloadVisualize
BU of 5tfu by Molmil
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
5VCC
DownloadVisualize
BU of 5vcc by Molmil
Crystal structure of human CYP3A4 bound to glycerol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCD
DownloadVisualize
BU of 5vcd by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to glycerol
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
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
5VCG
DownloadVisualize
BU of 5vcg by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
6WE6
DownloadVisualize
BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-01
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
5VBU
DownloadVisualize
BU of 5vbu by Molmil
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Pallan, P.S, Egli, M.
登録日2017-03-30
公開日2017-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
J. Biol. Chem., 292, 2017
5U6W
DownloadVisualize
BU of 5u6w by Molmil
The crystal structure of 4-methylaminobenzoate-bound CYP199A4
分子名称: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2016-12-09
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5UHU
DownloadVisualize
BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
分子名称: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Pochapsky, T.C, Tietz, D.R.
登録日2017-01-12
公開日2017-08-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon