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PDB: 123 件

8TID
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Combined linker domain of N-DRC and associated proteins Tetrahymena
分子名称: AAA family ATPase CDC48 subfamily protein, CFAP20, Calmodulin 7-2, ...
著者Ghanaeian, A.G, Majhi, S.M, McCaffrey, C.M, Nami, B.N, Black, C.B, Yang, S.K, Legal, T.L, Papoulas, O.P, Janowska, M.J, Valente-Paterno, M.V, Marcotte, E.M, Wloga, D.W, Bui, K.H.
登録日2023-07-19
公開日2023-09-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Integrated modeling of the Nexin-dynein regulatory complex reveals its regulatory mechanism.
Nat Commun, 14, 2023
7S6M
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BU of 7s6m by Molmil
Human PARP1 deltaV687-E688 bound to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7S68
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Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break.
分子名称: DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-13
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7LYX
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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
6DWM
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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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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
8GK3
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Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate
分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, J, Scott, E.E.
登録日2023-03-16
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate.
J.Biol.Chem., 299, 2023
8FDA
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Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium
著者Richard, A.M, Scott, E.E.
登録日2022-12-02
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles.
Commun Chem, 6, 2023
6HUF
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BU of 6huf by Molmil
Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A
著者Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J.
登録日2018-10-08
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
6UDL
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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
6FCO
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BU of 6fco by Molmil
Structural and functional characterisation of Frataxin (FXN) like protein from Chaetomium thermophilum
分子名称: MALONIC ACID, Mitochondrial frataxin-like protein
著者Jamshidiha, M, Rasheed, M, Pastore, A, Cota, E.
登録日2017-12-20
公開日2019-01-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural and functional characterization of a frataxin from a thermophilic organism.
FEBS J., 286, 2019
8EOH
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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
2VER
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BU of 2ver by Molmil
Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA)
分子名称: AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S.
登録日2007-10-26
公開日2008-01-08
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation.
Mol.Microbiol., 67, 2008
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
3EBS
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BU of 3ebs by Molmil
Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Phenacetin
分子名称: Cytochrome P450 2A6, N-(4-ethoxyphenyl)acetamide, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2008-08-28
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Key residues controlling phenacetin metabolism by human cytochrome P4502A enzymes.
Drug Metab.Dispos., 36, 2008
3E6I
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BU of 3e6i by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor indazole
分子名称: 1H-indazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Porubsky, P.R, Meneely, K.M, Scott, E.E.
登録日2008-08-15
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 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
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
8FYZ
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Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13)
分子名称: (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8FYY
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Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
分子名称: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8G0H
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Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
分子名称: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-31
公開日2024-02-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8FZ1
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Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14)
分子名称: (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
5FUA
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Cryo-EM of BK polyomavirus
分子名称: MAJOR CAPSID PROTEIN VP1
著者Hurdiss, D.L, Morgan, E.L, Thompson, R.F, Prescott, E.L, Panou, M.M, Macdonald, A, Ranson, N.A.
登録日2016-01-22
公開日2016-04-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献New Structural Insights Into the Genome and Minor Capsid Proteins of Bk Polyomavirus Using Cryo-Electron Microscopy.
Structure, 24, 2016
3ITQ
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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
2Y2Y
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Oxidised form of E. coli CsgC
分子名称: ACETATE ION, CURLI PRODUCTION PROTEIN CSGC
著者Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J.
登録日2010-12-16
公開日2011-09-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Atomic Resolution Insights Into Curli Fiber Biogenesis.
Structure, 19, 2011
2Y2T
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E. coli CsgC in reduced form
分子名称: CURLI PRODUCTION PROTEIN CSGC
著者Taylor, J.D, Salgado, P.S, Cota, E, Matthews, S.J.
登録日2010-12-16
公開日2011-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Atomic Resolution Insights Into Curli Fiber Biogenesis.
Structure, 19, 2011

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件を2024-08-28に公開中

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