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3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
分子名称: Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
登録日2011-07-28
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
分子名称: OTU domain-containing protein 5
著者Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
4G3G
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BU of 4g3g by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) V408L bound to a 2-(aminothiazolyl)phenol (cmp3)
分子名称: 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol, NF-kappa-beta-inducing kinase
著者Hymowitz, S.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4LXD
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BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
分子名称: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LVT
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BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
分子名称: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-26
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4MAN
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BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
分子名称: 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-08-16
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
5HIB
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BU of 5hib by Molmil
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
分子名称: Epidermal growth factor receptor, N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Eigenbrot, C, Yu, C.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIC
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BU of 5hic by Molmil
EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor
分子名称: Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
3V56
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BU of 3v56 by Molmil
Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.
分子名称: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
著者Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
登録日2011-12-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
5T8O
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BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
分子名称: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
4WLB
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BU of 4wlb by Molmil
Crystal structure of RORc in complex with a partial inverse agonist compound
分子名称: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ...
著者Boenig, G, Hymowitz, S.G, Kiefer, J.R.
登録日2014-10-07
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
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