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9I69
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BU of 9i69 by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D20
分子名称: ARG-ALA-PRO-0JY-SER-ASP, Cell division cycle protein 20 homolog
著者Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
登録日2025-01-29
公開日2025-02-12
実験手法X-RAY DIFFRACTION (1.463 Å)
主引用文献Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
9I6A
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BU of 9i6a by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D7
分子名称: ALA-PRO-0JY-GLY, Cell division cycle protein 20 homolog
著者Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
登録日2025-01-29
公開日2025-02-12
実験手法X-RAY DIFFRACTION (1.915 Å)
主引用文献Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
9I68
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BU of 9i68 by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D21
分子名称: ARG-ALA-PRO-3EG-SER-ASP, Cell division cycle protein 20 homolog
著者Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
登録日2025-01-29
公開日2025-02-12
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
分子名称: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-07
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5I9W
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BU of 5i9w by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.359 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5IA5
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BU of 5ia5 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, golvatinib
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
分子名称: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
著者Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
登録日2020-07-24
公開日2020-11-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
9H6W
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BU of 9h6w by Molmil
Crystal structure of the Salmonella effector SspH1
分子名称: E3 ubiquitin-protein ligase SspH1, L(+)-TARTARIC ACID
著者Kennedy, C.R, Esposito, D, House, D, Rittinger, K.
登録日2024-10-25
公開日2025-05-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the Salmonella effector SspH1
To Be Published
7B1H
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BU of 7b1h by Molmil
Monoclinic P21 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
分子名称: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
著者Fischer, E, Bellini, D, Barford, D.
登録日2020-11-24
公開日2021-03-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
7B1F
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BU of 7b1f by Molmil
Orthorhombic P212121 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
分子名称: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
著者Fischer, E, Bellini, D, Barford, D.
登録日2020-11-24
公開日2021-03-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
7B1J
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BU of 7b1j by Molmil
Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
分子名称: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
著者Fischer, E, Bellini, D, Barford, D.
登録日2020-11-25
公開日2021-03-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
分子名称: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-08-03
公開日2017-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3V4A
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BU of 3v4a by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 2
分子名称: (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION
著者Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
登録日2011-12-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
6HVC
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BU of 6hvc by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution
分子名称: Urotensin-2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
登録日2018-10-10
公開日2019-01-16
最終更新日2025-04-09
実験手法SOLUTION NMR
主引用文献Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
1HLW
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BU of 1hlw by Molmil
STRUCTURE OF THE H122A MUTANT OF THE NUCLEOSIDE DIPHOSPHATE KINASE
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Admiraal, S.J, Meyer, P, Schneider, B, Deville-Bonne, D, Janin, J, Herschlag, D.
登録日2000-12-04
公開日2001-02-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chemical rescue of phosphoryl transfer in a cavity mutant: a cautionary tale for site-directed mutagenesis.
Biochemistry, 40, 2001
5IA0
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BU of 5ia0 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6HBK
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BU of 6hbk by Molmil
Echovirus 18 Open particle without one pentamer
分子名称: Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3
著者Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P.
登録日2018-08-10
公開日2019-03-20
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
9GP4
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BU of 9gp4 by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutations Q953E:A958D
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, SULFATE ION
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-09-06
公開日2024-10-16
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9GP1
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BU of 9gp1 by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutatios K330R:A334E
分子名称: Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-09-06
公開日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
6HCL
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BU of 6hcl by Molmil
Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside
著者Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
登録日2018-08-15
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
3V49
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BU of 3v49 by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 1
分子名称: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ...
著者Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
登録日2011-12-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
9H44
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BU of 9h44 by Molmil
Jumonji domain-containing protein 2B with crown ether and crystallization epitope mutations L916G:R917A:A918D
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, Lysine-specific demethylase 4B
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-10-17
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
6HBL
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BU of 6hbl by Molmil
Echovirus 18 Open particle without three pentamers
分子名称: Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3
著者Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P.
登録日2018-08-10
公開日2019-03-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
7ALN
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BU of 7aln by Molmil
Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ...
著者Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D.
登録日2020-10-06
公開日2021-04-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity.
Nat Commun, 12, 2021
5I9Z
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016

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件を2025-07-09に公開中

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