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PDB: 425 件

5X3S
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BU of 5x3s by Molmil
Crystal structure of mouse Plk1-PBD in complex with phosphopeptide from HEF1 (799-809)
分子名称: Peptide from Enhancer of filamentation 1, Serine/threonine-protein kinase PLK1
著者Kim, J.H, Shin, S.C, Kim, E.E.
登録日2017-02-07
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Phosphorylation of human enhancer filamentation 1 (HEF1) stimulates interaction with Polo-like kinase 1 leading to HEF1 localization to focal adhesions.
J. Biol. Chem., 293, 2018
6M9A
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BU of 6m9a by Molmil
Bordetella pertussis globin coupled sensor regulatory domain (BpeGReg)
分子名称: CALCIUM ION, HYDROGEN PEROXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Rivera, S.R, Hoffer, E.D, Dunham, C.M, Weinert, E.E.
登録日2018-08-23
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into Oxygen-Dependent Signal Transduction within Globin Coupled Sensors.
Inorg Chem, 57, 2018
4U4H
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BU of 4u4h by Molmil
Crystal Structure of HSV-1 UL21 N-terminal Domain
分子名称: Tegument protein UL21
著者Metrick, C.M, Heldwein, E.E.
登録日2014-07-23
公開日2015-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Unusual Fold of Herpes Simplex Virus 1 UL21, a Multifunctional Tegument Protein.
J.Virol., 89, 2015
1VIF
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BU of 1vif by Molmil
STRUCTURE OF DIHYDROFOLATE REDUCTASE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID
著者Narayana, N, Matthews, D.A, Howell, E.E, Xuong, N.-H.
登録日1996-10-03
公開日1997-10-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site.
Nat.Struct.Biol., 2, 1995
1VIE
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BU of 1vie by Molmil
STRUCTURE OF DIHYDROFOLATE REDUCTASE
分子名称: DIHYDROFOLATE REDUCTASE
著者Narayana, N, Matthews, D.A, Howell, E.E, Xuong, N.-H.
登録日1996-10-03
公開日1997-10-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site.
Nat.Struct.Biol., 2, 1995
8ITN
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BU of 8itn by Molmil
Crystal structure of USP47apo catalytic domain
分子名称: Ubiquitin carboxyl-terminal hydrolase 47, ZINC ION
著者Kim, E.E, Shin, S.C.
登録日2023-03-22
公開日2024-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional characterization of USP47 reveals a hot spot for inhibitor design.
Commun Biol, 6, 2023
8ITP
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Crystal structure of USP47 catalytic domain complex with ubiquitin
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 47, ZINC ION
著者Kim, E.E, Shin, S.C.
登録日2023-03-22
公開日2024-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional characterization of USP47 reveals a hot spot for inhibitor design.
Commun Biol, 6, 2023
2SNS
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BU of 2sns by Molmil
STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE
著者Legg, M.J, Cotton, F.A, Hazen Jr, E.E.
登録日1982-05-14
公開日1982-07-29
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献
Thesis, Texas Agricultural and Mechanical University, 1977
3KDD
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BU of 3kdd by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265
分子名称: (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
著者Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M.
登録日2009-10-22
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
5OWX
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Inside-out FMDV A10 capsid
分子名称: Genome polyprotein
著者Kotecha, A, Malik, N, Fry, E.E, Stuart, D.I.
登録日2017-09-04
公開日2017-09-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structures of foot and mouth disease virus pentamers: Insight into capsid dissociation and unexpected pentamer reassociation.
PLoS Pathog., 13, 2017
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
3KOH
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Cytochrome P450 2E1 with omega-imidazolyl octanoic acid
分子名称: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Scott, E.E, Porubsky, P.R.
登録日2009-11-13
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 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
5OSN
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BU of 5osn by Molmil
Crystal Structure of Bovine Enterovirus 2 determined with Serial Femtosecond X-ray Crystallography
分子名称: Capsid protein, GLUTAMIC ACID, POTASSIUM ION, ...
著者Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Kotecha, A, Kelly, J, Rowlands, D.J, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A.
登録日2017-08-17
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
1WS0
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BU of 1ws0 by Molmil
Structure analysis of peptide deformylase from Bacillus cereus
分子名称: NICKEL (II) ION, peptide deformylase 1
著者Moon, J.H, Park, J.K, Kim, E.E.
登録日2004-10-29
公開日2005-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure analysis of peptide deformylase from Bacillus cereus
Proteins, 61, 2005
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
4MQ4
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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
6WR1
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Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WR0
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Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
分子名称: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WW0
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Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog
分子名称: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-05-07
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6UDM
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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
2Z84
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BU of 2z84 by Molmil
Insights from crystal and solution structures of mouse UfSP1
分子名称: Ufm1-specific protease 1
著者Ha, B.H, Ahn, H.C, Kang, S.H, Tanaka, K, Chung, C.H, Kim, E.E.
登録日2007-08-30
公開日2008-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for Ufm1 processing by UfSP1
J. Biol. Chem., 283, 2008
4NKX
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Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone
分子名称: PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKY
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Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NKW
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Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.P.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014

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