PDB: 12045 件ウェブページステータス検索Chemie searchBIRD

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6C1C	FGFR1 kinase complex with inhibitor SN37116 分子名称: 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION 著者 Yosaatmadja, Y, Smaill, J.B, Squire, C.J. 登録日 2018-01-04 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
6C1B	FGFR1 kinase complex with inhibitor SN37118 分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 著者 Yosaatmadja, Y, Smaill, J.B, Squire, C.J. 登録日 2018-01-04 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
6C18	FGFR1 kinase complex with inhibitor SN37115 分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION 著者 Yosaatmadja, Y, Smaill, J.B, Squire, C.J. 登録日 2018-01-04 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
6C19	FGFR1 kinase complex with inhibitor SN36985 分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION 著者 Yosaatmadja, Y, Smaill, J.B, Squire, C.J. 登録日 2018-01-04 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
6YKG	Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease 分子名称: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3 著者 Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C. 登録日 2020-04-06 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.12 Å) 主引用文献 Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease. J.Med.Chem., 64, 2021
4HD0	Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair 分子名称: DNA double-strand break repair protein Mre11, MANGANESE (II) ION 著者 Limbo, O, Moiani, D, Kertokalio, A, Wyman, C, Tainer, J.A, Russell, P. 登録日 2012-10-01 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair. Nucleic Acids Res., 40, 2012
2LYM	CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME AT A HYDROSTATIC PRESSURE OF 1000 ATMOSPHERES 分子名称: HEN EGG WHITE LYSOZYME 著者 Kundrot, C.E, Richards, F.M. 登録日 1987-06-08 公開日 1987-10-16 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of hen egg-white lysozyme at a hydrostatic pressure of 1000 atmospheres. J.Mol.Biol., 193, 1987
3JBZ	Crystal structure of mTOR docked into EM map of dimeric ATM kinase 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ... 著者 Lau, W.C.Y. 登録日 2015-11-03 公開日 2016-11-16 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (28 Å) 主引用文献 Structure of the human dimeric ATM kinase. Cell Cycle, 15, 2016
3LYM	CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME AT A HYDROSTATIC PRESSURE OF 1000 ATMOSPHERES 分子名称: HEN EGG WHITE LYSOZYME 著者 Kundrot, C.E, Richards, F.M. 登録日 1987-06-08 公開日 1987-10-16 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of hen egg-white lysozyme at a hydrostatic pressure of 1000 atmospheres. J.Mol.Biol., 193, 1987
5ECG	Crystal structure of the BRCT domains of 53BP1 in complex with p53 and H2AX-pSer139 (gammaH2AX) 分子名称: Cellular tumor antigen p53, SEP-GLN-GLU-TYR, Tumor suppressor p53-binding protein 1, ... 著者 Day, M, Oliver, A.W, Pearl, L.H. 登録日 2015-10-20 公開日 2015-12-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 ATM Localization and Heterochromatin Repair Depend on Direct Interaction of the 53BP1-BRCT2 Domain with gamma H2AX. Cell Rep, 13, 2015
7LIN	X-ray structure of SPOP MATH domain (D140G) in complex with a 53BP1 peptide 分子名称: SULFATE ION, Speckle-type POZ protein, TP53-binding protein 1 peptide 著者 Botuyan, M.V, Cui, G, Mer, G. 登録日 2021-01-27 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication. Sci Adv, 7, 2021
7LIO	X-ray structure of SPOP MATH domain (S119D) in complex with a 53BP1 peptide 分子名称: Speckle-type POZ protein, TP53-binding protein 1 peptide 著者 Botuyan, M.V, Cui, G, Mer, G. 登録日 2021-01-27 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication. Sci Adv, 7, 2021
7LIQ	X-ray structure of SPOP MATH domain (S119A) 分子名称: Speckle-type POZ protein 著者 Botuyan, M.V, Cui, G, Mer, G. 登録日 2021-01-27 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication. Sci Adv, 7, 2021
7LIP	X-ray structure of SPOP MATH domain (D140G) 分子名称: SULFATE ION, Speckle-type POZ protein 著者 Botuyan, M.V, Cui, G, Mer, G. 登録日 2021-01-27 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication. Sci Adv, 7, 2021
7N5B	Structure of AtAtm3 in the outward-facing conformation 分子名称: ABC transporter B family member 25, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Fan, C, Rees, D.C. 登録日 2021-06-05 公開日 2022-04-13 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
7N58	Structure of AtAtm3 in the inward-facing conformation 分子名称: ABC transporter B family member 25, mitochondrial 著者 Fan, C, Rees, D.C. 登録日 2021-06-05 公開日 2022-04-13 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
7N59	Structure of AtAtm3 in the inward-facing conformation with GSSG bound 分子名称: ABC transporter B family member 25, mitochondrial, OXIDIZED GLUTATHIONE DISULFIDE 著者 Fan, C, Rees, D.C. 登録日 2021-06-05 公開日 2022-04-13 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
7N5A	Structure of AtAtm3 in the closed conformation 分子名称: ABC transporter B family member 25, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Fan, C, Rees, D.C. 登録日 2021-06-05 公開日 2022-04-13 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.95 Å) 主引用文献 Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
4UWF	Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors 分子名称: (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 著者 Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. 登録日 2014-08-12 公開日 2014-11-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
4UWG	Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors 分子名称: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION 著者 Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. 登録日 2014-08-12 公開日 2014-11-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
7Y01	Crystal structure of ZmMCM10 in complex with 16nt ssDNA at 2.8. Angstrom resolution 分子名称: DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MCM10 minichromosome maintenance deficient 10, ZINC ION 著者 Du, X, Du, J. 登録日 2022-06-03 公開日 2023-04-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 AtMCM10 promotes DNA replication-coupled nucleosome assembly in Arabidopsis. J Integr Plant Biol, 65, 2023
6ZJZ	Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile, FORMIC ACID, ... 著者 Musil, D, Lehman, M, Strauss, J. 登録日 2020-06-29 公開日 2020-12-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.489 Å) 主引用文献 Discovery of M5049: A Novel Selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity. J.Pharmacol.Exp.Ther., 376, 2021
5KE0	Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers 分子名称: 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION 著者 Hruza, A, Lim, J. 登録日 2016-06-09 公開日 2016-07-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
6FX0	Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne 分子名称: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, Retinoic acid receptor gamma, TETRAETHYLENE GLYCOL 著者 Chantalat, L, Thoreau, E. 登録日 2018-03-08 公開日 2018-05-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne. Bioorg. Med. Chem. Lett., 28, 2018
8DI4	Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia 分子名称: 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... 著者 Hayes, R.P, Yan, Y. 登録日 2022-06-28 公開日 2023-02-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.016 Å) 主引用文献 Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J.Med.Chem., 66, 2023

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