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5EK9
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BU of 5ek9 by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor
分子名称: 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
著者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)
登録日2015-11-03
公開日2016-11-16
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
分子名称: 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
著者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)
登録日2017-02-07
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
著者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)
登録日2017-02-07
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
7CZ9
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BU of 7cz9 by Molmil
Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae
分子名称: DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter, GLYCEROL, ...
著者Murakami, S, Okada, U, Yamashita, E.
登録日2020-09-07
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae.
Nat Commun, 12, 2021
2LAV
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BU of 2lav by Molmil
NMR solution structure of human Vaccinia-Related Kinase 1
分子名称: Vaccinia-related kinase 1
著者Shin, J, Yoon, H.S.
登録日2011-03-21
公開日2011-05-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献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
2FBN
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BU of 2fbn by Molmil
Plasmodium falciparum putative FK506-binding protein PFL2275c, C-terminal TPR-containing domain
分子名称: 70 kDa peptidylprolyl isomerase, putative
著者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)
登録日2005-12-09
公開日2006-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic structure of the tetratricopeptide repeat domain of Plasmodium falciparum FKBP35 and its molecular interaction with Hsp90 C-terminal pentapeptide.
Protein Sci., 18, 2009
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
分子名称: 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, ...
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
分子名称: 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
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
3IHZ
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BU of 3ihz by Molmil
Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with FK506
分子名称: 70 kDa peptidylprolyl isomerase, putative, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
著者Qureshi, I.A, Alag, R, Yoon, H.S, Lescar, J.
登録日2009-07-31
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献NMR and crystallographic structures of the FK506 binding domain of human malarial parasite Plasmodium vivax FKBP35
Protein Sci., 19, 2010
3SQ5
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BU of 3sq5 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-04
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ8
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BU of 3sq8 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ7
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BU of 3sq7 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N_Glu Mutant
分子名称: SULFATE ION, Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ3
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BU of 3sq3 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H182A Mutant
分子名称: Tyrosyl-DNA phosphodiesterase 1
著者Gajewski, S, White, S.W.
登録日2011-07-04
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
2N0W
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BU of 2n0w by Molmil
Mdmx-SJ212
分子名称: 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
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-17
公開日2016-01-27
最終更新日2016-05-04
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N06
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BU of 2n06 by Molmil
Mdmx-298
分子名称: 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
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-04
公開日2016-01-27
最終更新日2019-11-06
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N14
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BU of 2n14 by Molmil
Mdmx-295
分子名称: 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
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-20
公開日2016-01-27
最終更新日2016-05-04
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N0U
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BU of 2n0u by Molmil
Mdmx-057
分子名称: 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
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-17
公開日2016-01-27
最終更新日2016-05-04
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2MWY
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BU of 2mwy by Molmil
Mdmx-p53
分子名称: Cellular tumor antigen p53, Protein Mdm4
著者Grace, C.R.
登録日2014-12-03
公開日2016-01-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
3PA7
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BU of 3pa7 by Molmil
Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF
分子名称: 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative
著者Balakrishna, A.M, Alag, R, Yoon, H.S.
登録日2010-10-18
公開日2012-02-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献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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件を2024-04-24に公開中

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