4L4R
| Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme | Descriptor: | L-lactate dehydrogenase A chain | Authors: | Dempster, S, Harper, S, Moses, J.E, Dreveny, I. | Deposit date: | 2013-06-09 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase. Acta Crystallogr.,Sect.D, 70, 2014
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4KO8
| Structure of p97 N-D1 R155H mutant in complex with ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Xia, D, Tang, W.K. | Deposit date: | 2013-05-11 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Altered Intersubunit Communication Is the Molecular Basis for Functional Defects of Pathogenic p97 Mutants. J.Biol.Chem., 288, 2013
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4N3W
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2XAS
| Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | Descriptor: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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4MR4
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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2X25
| Free acetyl-CypA orthorhombic form | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | Deposit date: | 2010-01-11 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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2XAH
| Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine | Descriptor: | 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2XA6
| Structural basis for homodimerization of the Src-associated during mitosis, 68 kD protein (Sam68) Qua1 domain | Descriptor: | KH DOMAIN-CONTAINING,RNA-BINDING,SIGNAL TRANSDUCTION-ASSOCIATED PROTEIN 1 | Authors: | Meyer, N.H, Tripsianes, K, Vincendeaux, M, Madl, T, Kateb, F, Brack-Werner, R, Sattler, M. | Deposit date: | 2010-03-29 | Release date: | 2010-07-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural basis for homodimerization of the Src-associated during mitosis, 68-kDa protein (Sam68) Qua1 domain. J. Biol. Chem., 285, 2010
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2W1D
| Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4KM8
| Crystal structure of Sufud60 | Descriptor: | Suppressor of fused homolog | Authors: | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | Deposit date: | 2013-05-08 | Release date: | 2013-11-20 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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4KN6
| Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | Authors: | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | Deposit date: | 2013-05-08 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir). Mol.Pharmacol., 84, 2013
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4MEN
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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4MI5
| Crystal structure of the EZH2 SET domain | Descriptor: | Histone-lysine N-methyltransferase EZH2, SULFATE ION, ZINC ION | Authors: | Antonysamy, S, Condon, B, Druzina, Z, Bonanno, J, Gheyi, T, Macewan, I, Zhang, A, Ashok, S, Russell, M, Luz, J.G. | Deposit date: | 2013-08-30 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain. Plos One, 8, 2013
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2WTW
| Aurora-A Inhibitor Structure (2nd crystal form) | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2009-09-24 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Biochem.J., 427, 2010
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2X6E
| Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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4N1R
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4MZ7
| Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F. | Deposit date: | 2013-09-29 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase Nat Commun, 4, 2013
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4N1M
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4LYS
| Crystal Structure of BRD4(1) bound to Colchiceine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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2WQE
| Structure of S155R Aurora-A somatic mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Bibby, R, Bayliss, R. | Deposit date: | 2009-08-20 | Release date: | 2009-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Cancer Associated Aurora-A Mutant is Mislocalised and Misregulated due to Loss of Interaction with Tpx2. J.Biol.Chem., 284, 2009
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4MEP
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand | Descriptor: | 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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4MEO
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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2V2T
| X-ray structure of a NF-kB p50-RelB-DNA complex | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*CP*CP*CP)-3', NUCLEAR FACTOR NF-KAPPA-B P105 SUBUNIT, TRANSCRIPTION FACTOR RELB | Authors: | Moorthy, A.K, Huang, D.B, Wang, V.Y, Vu, D, Ghosh, G. | Deposit date: | 2007-06-07 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | X-Ray Structure of a NF-kappaB p50/Relb/DNA Complex Reveals Assembly of Multiple Dimers on Tandem kappaB Sites. J.Mol.Biol., 373, 2007
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2X47
| Crystal structure of human MACROD1 | Descriptor: | MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION | Authors: | Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-01-28 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases. J.Biol.Chem., 286, 2011
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2WTV
| Aurora-A Inhibitor Structure | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, ACETATE ION, ... | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2009-09-22 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Biochem.J., 427, 2010
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