5E7I
 
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5DLX
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide | | 分子名称: | Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide | | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | 登録日 | 2015-09-07 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
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5E0U
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5E7D
 | | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | | 分子名称: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | | 著者 | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-10-12 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
To Be Published
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5DLZ
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide | | 分子名称: | Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide | | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | 登録日 | 2015-09-07 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
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5DMQ
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5E0V
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5DNR
 | | Aurora A Kinase in complex with ATP in space group P41212 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | | 登録日 | 2015-09-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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6UML
 | | Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex | | 分子名称: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | | 著者 | Clayton, T.L, Matyskiela, M.E, Pagarigan, B.E, Tran, E.T, Chamberlain, P.P. | | 登録日 | 2019-10-09 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex.
Nat.Struct.Mol.Biol., 27, 2020
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6TUY
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6AJV
 | | Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) | | 分子名称: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6TXA
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | 登録日 | 2020-01-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.853 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXE
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | 登録日 | 2020-01-14 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6V20
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6AJX
 | | Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | | 分子名称: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.887 Å) | | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6AJY
 | | Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone | | 分子名称: | 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION | | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6AFR
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | 登録日 | 2018-08-08 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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6AJZ
 | | Joint nentron and X-ray structure of BRD4 in complex with colchicin | | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION | | 著者 | Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6UPT
 | | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 | | 分子名称: | 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION | | 著者 | The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-18 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
to be published
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6UPV
 | | Alpha-E-catenin ABD-F-actin complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Mei, L, Alushin, G.M. | | 登録日 | 2019-10-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-10-07 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
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6AJW
 | | Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) | | 分子名称: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION | | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6ALD
 | | RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | | 分子名称: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | | 著者 | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | | 登録日 | 1998-12-23 | | 公開日 | 2000-01-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999
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6V0Q
 | | Crystal structure of the bromodomain of human BRD7 bound to TG003 | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6V1K
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI7273 | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 | | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6ASY
 | | BiP-ATP2 | | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | | 登録日 | 2017-08-26 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
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