5EK9
| Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | Descriptor: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-03 | Release date: | 2016-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
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5N2M
| Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue To Be Published
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5N2L
| Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ... | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue To Be Published
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7CZ9
| Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter, GLYCEROL, ... | Authors: | Murakami, S, Okada, U, Yamashita, E. | Deposit date: | 2020-09-07 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae. Nat Commun, 12, 2021
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6DDI
| Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-10 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
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6DDJ
| Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-10 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
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3IHZ
| Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with FK506 | Descriptor: | 70 kDa peptidylprolyl isomerase, putative, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | Authors: | Qureshi, I.A, Alag, R, Yoon, H.S, Lescar, J. | Deposit date: | 2009-07-31 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | NMR and crystallographic structures of the FK506 binding domain of human malarial parasite Plasmodium vivax FKBP35 Protein Sci., 19, 2010
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2FBN
| Plasmodium falciparum putative FK506-binding protein PFL2275c, C-terminal TPR-containing domain | Descriptor: | 70 kDa peptidylprolyl isomerase, putative | Authors: | Dong, A, Lew, J, Koeieradzki, I, Sundararajan, E, Melone, M, Wasney, G, Zhao, Y, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-09 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystallographic structure of the tetratricopeptide repeat domain of Plasmodium falciparum FKBP35 and its molecular interaction with Hsp90 C-terminal pentapeptide. Protein Sci., 18, 2009
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2LAV
| NMR solution structure of human Vaccinia-Related Kinase 1 | Descriptor: | Vaccinia-related kinase 1 | Authors: | Shin, J, Yoon, H.S. | Deposit date: | 2011-03-21 | Release date: | 2011-05-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity. J.Biol.Chem., 286, 2011
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3SQ5
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3SQ3
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3SQ8
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3SQ7
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2N0W
| Mdmx-SJ212 | Descriptor: | 4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N06
| Mdmx-298 | Descriptor: | 4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-04 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N14
| Mdmx-295 | Descriptor: | 4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-20 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N0U
| Mdmx-057 | Descriptor: | 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2MWY
| Mdmx-p53 | Descriptor: | Cellular tumor antigen p53, Protein Mdm4 | Authors: | Grace, C.R. | Deposit date: | 2014-12-03 | Release date: | 2016-01-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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3PA7
| Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF | Descriptor: | 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative | Authors: | Balakrishna, A.M, Alag, R, Yoon, H.S. | Deposit date: | 2010-10-18 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax EUKARYOTIC CELL, 12, 2013
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