5EQE
 
 | | Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | | 分子名称: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2015-11-12 | | 公開日 | 2016-01-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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5EQP
 | | Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37) | | 分子名称: | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha | | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2015-11-13 | | 公開日 | 2016-01-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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3OY3
 | | Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589 | | 分子名称: | 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1 | | 著者 | Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | | 登録日 | 2010-09-22 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
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3OXZ
 | | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | | 著者 | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | | 登録日 | 2010-09-22 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
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5EQY
 | | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | | 分子名称: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2015-11-13 | | 公開日 | 2016-01-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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4I9H
 | | Crystal structure of rabbit LDHA in complex with AP28669 | | 分子名称: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | | 著者 | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | 登録日 | 2012-12-05 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I8X
 | | Crystal structure of rabbit LDHA in complex with AP27460 | | 分子名称: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | 著者 | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2012-12-04 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I9N
 | | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | | 分子名称: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | 著者 | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | 登録日 | 2012-12-05 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I9U
 | | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | | 分子名称: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | 著者 | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2012-12-05 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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1CSZ
 | | SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR | | 分子名称: | ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE | | 著者 | Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C. | | 登録日 | 1995-10-03 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
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1CSY
 | | SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR | | 分子名称: | ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE | | 著者 | Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C. | | 登録日 | 1995-10-03 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
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1PKS
 | | STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 FAMILY | | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | | 著者 | Koyama, S, Yu, H, Dalgarno, D.C, Shin, T.B, Zydowsky, L.D, Schreiber, S.L. | | 登録日 | 1994-03-07 | | 公開日 | 1994-05-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the PI3K SH3 domain and analysis of the SH3 family.
Cell(Cambridge,Mass.), 72, 1993
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1PKT
 | | STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 FAMILY | | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | | 著者 | Koyama, S, Yu, H, Dalgarno, D.C, Shin, T.B, Zydowsky, L.D, Schreiber, S.L. | | 登録日 | 1994-03-07 | | 公開日 | 1994-05-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the PI3K SH3 domain and analysis of the SH3 family.
Cell(Cambridge,Mass.), 72, 1993
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3KFA
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3KF4
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4U0I
 | | Crystal structure of KIT in complex with ponatinib | | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION | | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ponatinib Inhibits Polyclonal Drug-Resistant KIT Oncoproteins and Shows Therapeutic Potential in Heavily Pretreated Gastrointestinal Stromal Tumor (GIST) Patients.
Clin.Cancer Res., 20, 2014
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | 著者 | Skene, R.J, Lane, W, Hu, Y. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | 分子名称: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Skene, R.J, Lane, W. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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1IJR
 | | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | | 分子名称: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | | 著者 | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | | 登録日 | 2001-04-27 | | 公開日 | 2002-05-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
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3IK3
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1NLP
 | | STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | C-SRC, NL2 (MN8-MN1-PLPPLP) | | 著者 | Feng, S, Kapoor, T.M, Shirai, F, Combs, A.P, Schreiber, S.L. | | 登録日 | 1996-08-04 | | 公開日 | 1997-01-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Molecular basis for the binding of SH3 ligands with non-peptide elements identified by combinatorial synthesis.
Chem.Biol., 3, 1996
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1NLO
 | | STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | C-SRC, NL1 (MN7-MN2-MN1-PLPPLP) | | 著者 | Feng, S, Kapoor, T.M, Shirai, F, Combs, A.P, Schreiber, S.L. | | 登録日 | 1996-08-04 | | 公開日 | 1997-01-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Molecular basis for the binding of SH3 ligands with non-peptide elements identified by combinatorial synthesis.
Chem.Biol., 3, 1996
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1QWF
 | | C-SRC SH3 DOMAIN COMPLEXED WITH LIGAND VSL12 | | 分子名称: | TYROSINE-PROTEIN KINASE TRANSFORMING PROTEIN SRC, VAL-SER-LEU-ALA-ARG-ARG-PRO-LEU-PRO-PRO-LEU-PRO | | 著者 | Feng, S, Chiyoshi, K, Rickles, R.J, Schreiber, S.L. | | 登録日 | 1995-11-09 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Specific interactions outside the proline-rich core of two classes of Src homology 3 ligands.
Proc.Natl.Acad.Sci.USA, 92, 1995
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1QWE
 | | C-SRC SH3 DOMAIN COMPLEXED WITH LIGAND APP12 | | 分子名称: | ALA-PRO-PRO-LEU-PRO-PRO-ARG-ASN-ARG-PRO-ARG-LEU, TYROSINE-PROTEIN KINASE TRANSFORMING PROTEIN SRC | | 著者 | Feng, S, Chiyoshi, K, Rickles, R.J, Schreiber, S.L. | | 登録日 | 1995-11-09 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Specific interactions outside the proline-rich core of two classes of Src homology 3 ligands.
Proc.Natl.Acad.Sci.USA, 92, 1995
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1RLQ
 | | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | | 分子名称: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | | 著者 | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | | 登録日 | 1994-10-10 | | 公開日 | 1995-02-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions.
Science, 266, 1994
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