8FP3
 
 | | PKCeta kinase domain in complex with compound 11 | | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | | 著者 | Johnson, E. | | 登録日 | 2023-01-03 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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8FP1
 | | PKCeta kinase domain in complex with compound 2 | | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | | 著者 | Johnson, E. | | 登録日 | 2023-01-03 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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7O70
 | | KRasG12C ligand complex | | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | | 著者 | Phillips, C. | | 登録日 | 2021-04-12 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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7O83
 | | KRasG12C ligand complex | | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C, Breed, J. | | 登録日 | 2021-04-14 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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7OO7
 | | KRasG12C ligand complex | | 分子名称: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | | 著者 | Phillips, C. | | 登録日 | 2021-05-26 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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6WX7
 | | SOX2 bound to Importin-alpha 2 | | 分子名称: | Importin subunit alpha-1, Transcription factor SOX-2 | | 著者 | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | 登録日 | 2020-05-09 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
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6WX8
 | | SOX2 bound to Importin-alpha 3 | | 分子名称: | Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2 | | 著者 | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | 登録日 | 2020-05-10 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
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6WX9
 | | SOX2 bound to Importin-alpha 5 | | 分子名称: | Importin subunit alpha-5, Transcription factor SOX-2 | | 著者 | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | 登録日 | 2020-05-10 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
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6T5B
 | | KRasG12C ligand complex | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-15 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5U
 | | KRasG12C ligand complex | | 分子名称: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-17 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5V
 | | KRasG12C ligand complex | | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C. | | 登録日 | 2019-10-17 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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4CCB
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine | | 分子名称: | 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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4CCU
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | | 分子名称: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-28 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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5FLF
 | | DISEASE LINKED MUTATION IN FGFR | | 分子名称: | ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | | 著者 | Thiyagarajan, N, Bunney, T.D, Katan, M. | | 登録日 | 2015-10-26 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use.
Oncotarget, 7, 2016
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4CD0
 | | Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol | | 分子名称: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-29 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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6S7E
 | | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | | 分子名称: | FE (III) ION, Plant cysteine oxidase 4 | | 著者 | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | | 登録日 | 2019-07-04 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5EW8
 | | FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693 | | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine | | 著者 | Ogg, D, Breed, J. | | 登録日 | 2015-11-20 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use.
Oncotarget, 7, 2016
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6S0P
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6SBP
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4AYW
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM) | | 分子名称: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | 登録日 | 2012-06-22 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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8F86
 | | SIRT6 bound to an H3K9Ac nucleosome | | 分子名称: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | | 著者 | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | | 登録日 | 2022-11-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation.
J.Am.Chem.Soc., 145, 2023
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5FV1
 | | Crystal structure of hVEGF in complex with VK domain antibody | | 分子名称: | VASCULAR ENDOTHELIAL GROWTH FACTOR A, VK DOMAIN ANTIBODY | | 著者 | Chung, C, Walker, A. | | 登録日 | 2016-02-02 | | 公開日 | 2016-02-17 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
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5FV2
 | | Crystal structure of hVEGF in complex with VH domain antibody | | 分子名称: | VASCULAR ENDOTHELIAL GROWTH FACTOR, VH DOMAIN ANTIBODY | | 著者 | Chung, C, Batuwangala, T. | | 登録日 | 2016-02-02 | | 公開日 | 2016-02-17 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
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3LZ6
 | | Guinea Pig 11beta hydroxysteroid dehydrogenase with PF-877423 | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-adamantan-2-yl-1-ethyl-D-prolinamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Pauly, T.A. | | 登録日 | 2010-03-01 | | 公開日 | 2011-05-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | 分子名称: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | 著者 | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | 登録日 | 2017-09-25 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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