4B9K
| pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound | Descriptor: | (2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | Deposit date: | 2012-09-05 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1 Alpha Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4B95
| pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | Deposit date: | 2012-08-31 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
3ZRF
| pVHL54-213-EloB-EloC complex_apo | Descriptor: | TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR, | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-06-16 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction J.Am.Chem.Soc., 134, 2012
|
|
3ZRC
| pVHL54-213-EloB-EloC complex (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE bound | Descriptor: | (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-06-15 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction J.Am.Chem.Soc., 134, 2012
|
|
4AWJ
| pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | Deposit date: | 2012-06-04 | Release date: | 2012-11-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
|
|
4AJY
| von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | Descriptor: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | Deposit date: | 2012-02-21 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
|
|
3ZTC
| pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide | Descriptor: | (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-07-06 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
|
|
3ZTD
| pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate | Descriptor: | METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-07-07 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
|
|
4WIV
| Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, X, Blacklow, S. | Deposit date: | 2014-09-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors. J.Med.Chem., 57, 2014
|
|
6P38
| Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold. Acs Med.Chem.Lett., 10, 2019
|
|
5KJ0
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | Descriptor: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | Deposit date: | 2016-06-17 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET. ChemMedChem, 11, 2016
|
|
4ZC9
| Crystal Structure of the BRD4a/DB-2-190 complex | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide, Bromodomain-containing protein 4 | Authors: | Seo, H.-S, DeAngelo, S, Bradner, J.E. | Deposit date: | 2015-04-15 | Release date: | 2015-11-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | DRUG DEVELOPMENT. Phthalimide conjugation as a strategy for in vivo target protein degradation. Science, 348, 2015
|
|
6CJ1
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | Descriptor: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
6CIS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
6CIY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
6CD4
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
6CD5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
6CJ2
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. Acs Chem.Biol., 13, 2018
|
|
5TWU
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | Maternal embryonic leucine zipper kinase | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5TWL
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5TWZ
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5TX3
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5WA5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2017-06-24 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
|
|
5TWY
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
|
|
5TWX
| Crystal Structure of BRD9 bromodomain | Descriptor: | Bromodomain-containing protein 9, N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|