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PDB: 14 件

3CTQ
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Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
分子名称: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide
著者Qian, K.
登録日2008-04-14
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
1XQZ
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Crystal Structure of hPim-1 kinase at 2.1 A resolution
分子名称: Proto-oncogene serine/threonine-protein kinase Pim-1
著者Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
登録日2004-10-13
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
3S0N
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Crystal Structure of Human Chymase with Benzimidazolone Inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid, Chymase, ...
著者Qian, K.C, Farrow, N.A, Padyana, A.K.
登録日2011-05-13
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region.
Bioorg.Med.Chem.Lett., 21, 2011
7VI6
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Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila
分子名称: Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION
著者Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
登録日2021-09-26
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
7VI7
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Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
登録日2021-09-26
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
1XR1
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Crystal structure of hPim-1 kinase in complex with AMP-PNP at 2.1 A Resolution
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
登録日2004-10-13
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
2PUU
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BU of 2puu by Molmil
Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
分子名称: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
著者Qian, K.C.
登録日2007-05-09
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
3F2A
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Crystal structure of human Pim-1 in complex with DAPPA
分子名称: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Qian, K.
登録日2008-10-29
公開日2009-03-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
分子名称: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
著者Qian, K.C.
登録日2009-03-05
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6JVX
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Crystal structure of RBM38 in complex with RNA
分子名称: RNA (5'-R(*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3'), RNA-binding protein 38, SULFATE ION
著者Qian, K, Li, M, Wang, J, Zhang, M, Wang, M.
登録日2019-04-17
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural basis for mRNA recognition by human RBM38.
Biochem.J., 477, 2020
6JVY
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Crystal structure of RBM38 in complex with single-stranded DNA
分子名称: DNA (5'-D(*TP*GP*TP*GP*TP*GP*TP*GP*TP*GP*TP*G)-3'), RNA-binding protein 38, SULFATE ION
著者Qian, K, Li, M, Wang, J, Zhang, M, Wang, M.
登録日2019-04-17
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural basis for mRNA recognition by human RBM38.
Biochem.J., 477, 2020
4G1N
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PKM2 in complex with an activator
分子名称: MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ...
著者Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C.
登録日2012-07-10
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
6A4I
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BU of 6a4i by Molmil
Crystal Structure of human TDO inhibitor complex
分子名称: 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol, CITRIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fu, G, Wang, J, Luo, G, Wu, G, Qian, K.
登録日2018-06-20
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of human TDO inhibitor complex
To Be Published
4JA8
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Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor
分子名称: 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ...
著者Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B.
登録日2013-02-18
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation.
Science, 340, 2013

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件を2024-07-24に公開中

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