4HAT
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6TAX
| Mouse RNF213 wild type protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ... | Authors: | Ahel, J, Meinhart, A, Haselbach, D, Clausen, T. | Deposit date: | 2019-10-31 | Release date: | 2020-07-01 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism. Elife, 9, 2020
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6MXZ
| Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 | Descriptor: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1 | Authors: | Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G. | Deposit date: | 2018-10-31 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun, 14, 2023
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4FTG
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6TPX
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4GM8
| Crystal structure of human WD repeat domain 5 with compound MM-102 | Descriptor: | MM-102, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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6TPZ
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2019-12-15 | Release date: | 2020-01-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
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4GMX
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4GM9
| Crystal structure of human WD repeat domain 5 with compound MM-401 | Descriptor: | MM-401, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
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6NR5
| Human LSD1 in complex with Phenelzine sulfate | Descriptor: | Lysine-specific histone demethylase 1A, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | Deposit date: | 2019-01-22 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer. Front Immunol, 10, 2019
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4IFC
| Crystal Structure of ADP-bound Human PRPF4B kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-14 | Release date: | 2013-08-28 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IFS
| Crystal structure of the hSSRP1 Middle domain | Descriptor: | CHLORIDE ION, FACT complex subunit SSRP1 | Authors: | Zhang, W.J, Zeng, F.X, Shao, C, Liu, Y.W, Niu, L.W, Li, X, Teng, M.K. | Deposit date: | 2012-12-15 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of the hSSRP1 Middle domain To be Published
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6O1E
| The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP | Descriptor: | MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Klein, B.J, Zhang, Y, Kutateladze, T.G. | Deposit date: | 2019-02-19 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mechanism for autoinhibition and activation of the MORC3 ATPase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4IJP
| Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | Descriptor: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-22 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IJQ
| Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ... | Authors: | Guddat, L.W, Keough, D.T, Hockova, D. | Deposit date: | 2012-12-22 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity J.Med.Chem., 56, 2013
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6NQU
| Human LSD1 in complex with GSK2879552 | Descriptor: | Lysine-specific histone demethylase 1A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Authors: | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | Deposit date: | 2019-01-21 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer. Front Immunol, 10, 2019
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6MV8
| LDHA structure in complex with inhibitor 14 | Descriptor: | (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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6MH1
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2018-09-17 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor. J.Med.Chem., 61, 2018
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4IA9
| Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-06 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. ACS Med Chem Lett, 4, 2013
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4HXO
| Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor | Descriptor: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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6MXY
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4HXK
| Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXR
| Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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6MWQ
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6MZC
| Human TFIID BC core | Descriptor: | Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 12, Transcription initiation factor TFIID subunit 2, ... | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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