6NLV
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![BU of 6nlv by Molmil](/molmil-images/mine/6nlv) | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | 分子名称: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Singh, S, McKenna, R. | 登録日 | 2019-01-09 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | 主引用文献 | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
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6NM0
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![BU of 6nm0 by Molmil](/molmil-images/mine/6nm0) | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | 分子名称: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Singh, S, McKenna, R. | 登録日 | 2019-01-10 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
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6JJB
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![BU of 6jjb by Molmil](/molmil-images/mine/6jjb) | BRD4 in complex with ZZM1 | 分子名称: | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | 登録日 | 2019-02-25 | 公開日 | 2020-01-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
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8INP
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![BU of 8inp by Molmil](/molmil-images/mine/8inp) | A reversible glycosyltransferase of tectorigenin - Bc7OUGT | 分子名称: | Bc7OUGT, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose | 著者 | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | 登録日 | 2023-03-10 | 公開日 | 2023-08-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence. Plant Biotechnol J, 21, 2023
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8IQF
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![BU of 8iqf by Molmil](/molmil-images/mine/8iqf) | Cryo-EM structure of the dimeric human CAF1-H3-H4 complex | 分子名称: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | 著者 | Liu, C.P, Yu, Z.Y, Xu, R.M. | 登録日 | 2023-03-16 | 公開日 | 2023-08-16 | 最終更新日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
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8IQG
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![BU of 8iqg by Molmil](/molmil-images/mine/8iqg) | Cryo-EM structure of the monomeric human CAF1-H3-H4 complex | 分子名称: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | 著者 | Liu, C.P, Yu, Z.Y, Xu, R.M. | 登録日 | 2023-03-16 | 公開日 | 2023-08-16 | 最終更新日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
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8K3C
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8ITA
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![BU of 8ita by Molmil](/molmil-images/mine/8ita) | A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin | 分子名称: | 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE | 著者 | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | 登録日 | 2023-03-22 | 公開日 | 2023-08-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence. Plant Biotechnol J, 21, 2023
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6MN6
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![BU of 6mn6 by Molmil](/molmil-images/mine/6mn6) | |
6NVH
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![BU of 6nvh by Molmil](/molmil-images/mine/6nvh) | FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide | 分子名称: | Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION | 著者 | Lin, X, Smaill, J.B, Squire, C.J. | 登録日 | 2019-02-05 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVJ
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![BU of 6nvj by Molmil](/molmil-images/mine/6nvj) | FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide | 分子名称: | Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION | 著者 | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | 登録日 | 2019-02-05 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVL
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![BU of 6nvl by Molmil](/molmil-images/mine/6nvl) | FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide | 分子名称: | Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION | 著者 | Lin, X, Smaill, J.B, Squire, C.J. | 登録日 | 2019-02-05 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVG
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![BU of 6nvg by Molmil](/molmil-images/mine/6nvg) | FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide | 分子名称: | Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION | 著者 | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | 登録日 | 2019-02-05 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVK
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![BU of 6nvk by Molmil](/molmil-images/mine/6nvk) | FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide | 分子名称: | Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION | 著者 | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | 登録日 | 2019-02-05 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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7RYF
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![BU of 7ryf by Molmil](/molmil-images/mine/7ryf) | A. baumannii Ribosome-TP-6076 complex: P-site tRNA 70S | 分子名称: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-08-25 | 公開日 | 2022-02-02 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | 主引用文献 | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii. Mbio, 13, 2022
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3SXF
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![BU of 3sxf by Molmil](/molmil-images/mine/3sxf) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | 分子名称: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | 著者 | Larson, E.T, Merritt, E.A. | 登録日 | 2011-07-14 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3SX9
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7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | 著者 | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | 登録日 | 2021-02-09 | 公開日 | 2021-09-15 | 最終更新日 | 2022-03-02 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | 分子名称: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | 登録日 | 2021-02-09 | 公開日 | 2021-09-15 | 最終更新日 | 2022-03-02 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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8J5X
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![BU of 8j5x by Molmil](/molmil-images/mine/8j5x) | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09192252 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5W
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![BU of 8j5w by Molmil](/molmil-images/mine/8j5w) | The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28041458 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J61
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![BU of 8j61 by Molmil](/molmil-images/mine/8j61) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05065274 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J63
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![BU of 8j63 by Molmil](/molmil-images/mine/8j63) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.0005 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8JGD
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![BU of 8jgd by Molmil](/molmil-images/mine/8jgd) | GDP-bound KRAS G12C in complex with YK-8S | 分子名称: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Zhang, Z.M, Wang, R.L. | 登録日 | 2023-05-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.60037053 Å) | 主引用文献 | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
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8JHL
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![BU of 8jhl by Molmil](/molmil-images/mine/8jhl) | GDP-bound KRAS G12D in complex with YK-8S | 分子名称: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | 著者 | Zhang, Z.M, Wang, R.L. | 登録日 | 2023-05-23 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.10004044 Å) | 主引用文献 | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
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