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2K54
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BU of 2k54 by Molmil
Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727 .
分子名称: Protein Atu0742
著者Lemak, A, Yee, A, Gutmanas, A, Fares, C, Semesi, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-24
公開日2008-08-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein ATC0727 from Agrobacterium Tumefaciens.
To be Published
3MQR
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BU of 3mqr by Molmil
Crystal Structure of the USP7:HdmX(AHSS) complex
分子名称: HdmX Peptide, Ubiquitin carboxyl-terminal hydrolase 7
著者Saridakis, V.
登録日2010-04-28
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure Of USP7
To be Published
2K7I
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BU of 2k7i by Molmil
Solution NMR structure of protein ATU0232 from AGROBACTERIUM TUMEFACIENS. Northeast Structural Genomics Consortium (NESG) target AtT3. Ontario Center for Structural Proteomics target ATC0223.
分子名称: UPF0339 protein Atu0232
著者Lemak, A, Srisailam, S, Yee, A, Bansal, S, Semesi, A, Prestegard, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
登録日2008-08-12
公開日2008-10-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein ATU0232 from Agrobacterium Tumefaciens.
To be Published
2KJZ
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BU of 2kjz by Molmil
Solution NMR structure of protein ATC0852 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium (NESG) target AtT2.
分子名称: ATC0852
著者Lemak, A, Yee, A, Gutmanas, A, Fares, C, Garcia, M, Montelione, G, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-12
公開日2009-07-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein ATC0852 from Agrobacterium tumefaciens
To be Published
3OBZ
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BU of 3obz by Molmil
Crystal structure of human phytanoyl-COA dioxygenase phyhd1 2-oxoglutarate and iron complex
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase domain-containing protein 1
著者Zhang, Z, McDonough, M.A, Schofield, C.J.
登録日2010-08-09
公開日2010-09-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Human PHYHD1, a Non-Heme Fe(II) and 2-Oxoglutarate Dependent Oxygenase Related to Phytanoyl-CoA Hydroxylase
To be Published
3LBZ
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BU of 3lbz by Molmil
Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6
分子名称: (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid, B-cell lymphoma 6 protein, N-[(4-bromophenyl)sulfonyl]acetamide
著者Ghetu, A.F, Prive, G.G.
登録日2010-01-08
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Cancer Cell, 17, 2010
3PHD
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BU of 3phd by Molmil
Crystal structure of human HDAC6 in complex with ubiquitin
分子名称: Histone deacetylase 6, Polyubiquitin, ZINC ION
著者Dong, A, Qui, W, Ravichandran, M, Schuetz, A, Loppnau, P, Li, F, Mackenzie, F, Kozieradzki, I, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2010-11-03
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Protein Aggregates Are Recruited to Aggresome by Histone Deacetylase 6 via Unanchored Ubiquitin C Termini.
J.Biol.Chem., 287, 2012
2JTV
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BU of 2jtv by Molmil
Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384
分子名称: Protein of Unknown Function
著者Ignatchenko, A, Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
登録日2007-08-07
公開日2007-10-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384
TO BE PUBLISHED
2KP6
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BU of 2kp6 by Molmil
Solution NMR structure of protein CV0237 from Chromobacterium violaceum. Northeast Structural Genomics Consortium (NESG) target CvT1
分子名称: Uncharacterized protein
著者Fares, C, Lemak, A, Yee, A, Garcia, M, Montelione, G.T, Arrowsmith, C.T, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-07
公開日2009-10-27
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of protein CV0237 from Chromobacterium violaceum
TO BE PUBLISHED
2K4X
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BU of 2k4x by Molmil
Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum
分子名称: 30S ribosomal protein S27ae, ZINC ION
著者Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2008-06-20
公開日2008-08-19
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum/Northeast Structural Genomics Consortium Target TaT88/Ontario Center for Structural Proteomics target ta1093
To be Published
2KVR
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BU of 2kvr by Molmil
Solution NMR structure of human ubiquitin specific protease Usp7 UBL domain (residues 537-664). NESG target hr4395c/ SGC-Toronto
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Bezsonova, I, Lemak, A, Avvakumov, G, Xue, S, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2010-03-25
公開日2010-04-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献solution structure of the ubiquitin specific protease Usp7 ubiquitin-like domain
To be Published
1L5X
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BU of 1l5x by Molmil
The 2.0-Angstrom resolution crystal structure of a survival protein E (SurE) homolog from Pyrobaculum aerophilum
分子名称: ACETIC ACID, GLYCEROL, Survival protein E
著者Mura, C, Katz, J.E, Clarke, S.G, Eisenberg, D.
登録日2002-03-08
公開日2003-02-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of an Archaeal Homolog of Survival Protein E (SurE-alpha): An Acid Phosphatase with Purine Nucleotide Specificity
J.Mol.Biol., 326, 2003
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-02-02
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
分子名称: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
登録日2016-01-24
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5HTB
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BU of 5htb by Molmil
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353
分子名称: (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-01-26
公開日2016-05-11
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
5IID
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BU of 5iid by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
分子名称: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5IGM
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BU of 5igm by Molmil
Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP)
分子名称: Bromodomain-containing protein 9, Bromosporine
著者Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5II2
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BU of 5ii2 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5IGK
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BU of 5igk by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine
著者Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5II1
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BU of 5ii1 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
分子名称: 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5J1W
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BU of 5j1w by Molmil
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
分子名称: Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ...
著者Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-29
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
5J0D
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BU of 5j0d by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound
分子名称: 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein
著者Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-28
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
J.Med.Chem., 59, 2016
5HTC
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Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
分子名称: (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ...
著者Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-01-26
公開日2016-03-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
5I3L
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DPF3b in complex with H3K14ac peptide
分子名称: 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ...
著者Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-02-10
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of DPF3b in complex with an acetylated histone peptide.
J.Struct.Biol., 195, 2016
5J1V
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Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
分子名称: Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine
著者Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-29
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016

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