Search by PDB author - 日本蛋白質構造データバンク

English 日本語简体中文繁體中文 한국어

✖

ﾒﾆｭｰ

RCSB PDB PDBe BMRB Adv. Search Search help

Search by PDB author

Visualize

BU of 5f4n by Molmil

Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)
分子名称:	1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ...
著者	Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A.
登録日	2015-12-03
公開日	2016-05-25
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.91 Å)
主引用文献	Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016

Visualize

BU of 5cal by Molmil

EGFR kinase domain mutant "TMLR" with compound 24
分子名称:	2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 7r9l by Molmil

Crystal structure of HPK1 in complex with compound 2
分子名称:	2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
著者	Wu, P, Lehoux, I, Wang, W.
登録日	2021-06-29
公開日	2022-01-05
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.332 Å)
主引用文献	Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022

Visualize

BU of 7r9p by Molmil

Crystal structure of HPK1 in complex with compound 14
分子名称:	6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
著者	Wu, P, Lehoux, I, Wang, W.
登録日	2021-06-29
公開日	2022-01-05
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.27 Å)
主引用文献	Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022

Visualize

BU of 7r9t by Molmil

Crystal structure of HPK1 in complex with compound 17
分子名称:	6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
著者	Wu, P, Lehoux, I, Wang, W.
登録日	2021-06-29
公開日	2022-01-05
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022

Visualize

BU of 7r9n by Molmil

Crystal structure of HPK1 in complex with GNE1858
分子名称:	1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
著者	Wu, P, Lehoux, I, Wang, W.
登録日	2021-06-29
公開日	2022-01-05
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022

Visualize

BU of 5c8n by Molmil

EGFR kinase domain mutant "TMLR" with compound 23
分子名称:	Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-25
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.401 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5cap by Molmil

EGFR kinase domain mutant "TMLR" with compound 30
分子名称:	2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5c8k by Molmil

EGFR kinase domain mutant "TMLR" with compound 1
分子名称:	1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-25
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5cao by Molmil

EGFR kinase domain mutant "TMLR" with compound 29
分子名称:	Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5can by Molmil

EGFR kinase domain mutant "TMLR" with compound 27
分子名称:	(3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5cav by Molmil

EGFR kinase domain with compound 41a
分子名称:	(1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-30
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.73 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5c8m by Molmil

EGFR kinase domain mutant "TMLR" with compound 17
分子名称:	2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-25
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5cau by Molmil

EGFR kinase domain mutant "TMLR" with compound 41b
分子名称:	(1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5caq by Molmil

EGFR kinase domain mutant "TMLR" with compound 33
分子名称:	Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5cas by Molmil

EGFR kinase domain mutant "TMLR" with compound 41a
分子名称:	(1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-06-29
公開日	2015-10-28
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015

Visualize

BU of 5em7 by Molmil

EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称:	4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-11-05
公開日	2015-12-30
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.81 Å)
主引用文献	Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. Acs Med.Chem.Lett., 7, 2016

Visualize

BU of 5em8 by Molmil

EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称:	4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-11-05
公開日	2015-12-30
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. Acs Med.Chem.Lett., 7, 2016

Visualize

BU of 5em6 by Molmil

EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称:	4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者	Eigenbrot, C, Yu, C.
登録日	2015-11-05
公開日	2015-12-30
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.78 Å)
主引用文献	Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. Acs Med.Chem.Lett., 7, 2016

Visualize

BU of 5em5 by Molmil

EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称:	4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor
著者	Eigenbrot, C, Yu, C.
登録日	2015-11-05
公開日	2015-12-30
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. Acs Med.Chem.Lett., 7, 2016

223532

件を2024-08-07に公開中

PDB statistics

PDBj update info

Contact PDBj

numon