タイトル | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 10224-10234, Year 2020 |
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掲載日 | 2020年4月24日 (構造データの登録日) |
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著者 | Schroder, M. / Bullock, A.N. / Fedorov, O. / Bracher, F. / Chaikuad, A. / Knapp, S. |
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リンク | J. Med. Chem. / PubMed:32787076 |
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手法 | X線回折 |
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解像度 | 1.7 - 2.6 Å |
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構造データ | PDB-6yta: CLK1 bound with imidazopyridazine (Cpd 1) 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6ytd: CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2) 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6yte: CLK1 bound with benzothiazole Tg003 (Cpd 2) 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6ytg: CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6yti: CLK1 bound with ETH1610 (Cpd 17) 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6ytw: CLK3 bound with benzothiazole Tg003 (Cpd 2) 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6yty: CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-6yu1: CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6z2v: CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-6zln: CLK1 bound with GW807982X (Cpd 8) 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å |
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化合物 | ChemComp-IYZ: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE
ChemComp-EAE: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one / TG-003
ChemComp-KHC: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
ChemComp-7A7: methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
ChemComp-PKB: 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Inhibitor / Complex / CLK1 / Structural Genomics / Structural Genomics Consortium / SGC / CLK3 |
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