8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | 登録日 | 2022-12-21 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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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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7WRO
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![BU of 7wro by Molmil](/molmil-images/mine/7wro) | |
7WR8
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![BU of 7wr8 by Molmil](/molmil-images/mine/7wr8) | |
7WRL
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![BU of 7wrl by Molmil](/molmil-images/mine/7wrl) | |
7WRZ
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![BU of 7wrz by Molmil](/molmil-images/mine/7wrz) | |
7XNS
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![BU of 7xns by Molmil](/molmil-images/mine/7xns) | SARS-CoV-2 Omicron BA.2.12.1 variant spike | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-29 | 公開日 | 2022-07-13 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7XIX
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![BU of 7xix by Molmil](/molmil-images/mine/7xix) | SARS-CoV-2 Omicron BA.2 variant spike (state 2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-14 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7XNQ
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![BU of 7xnq by Molmil](/molmil-images/mine/7xnq) | SARS-CoV-2 Omicron BA.4 variant spike | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-29 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7XIY
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![BU of 7xiy by Molmil](/molmil-images/mine/7xiy) | SARS-CoV-2 Omicron BA.3 variant spike | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-14 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7XIW
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![BU of 7xiw by Molmil](/molmil-images/mine/7xiw) | SARS-CoV-2 Omicron BA.2 variant spike (state 1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-14 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7XIZ
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7XNR
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![BU of 7xnr by Molmil](/molmil-images/mine/7xnr) | SARS-CoV-2 Omicron BA.2.13 variant spike | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wang, X, Wang, L. | 登録日 | 2022-04-29 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7X6A
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8JO4
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![BU of 8jo4 by Molmil](/molmil-images/mine/8jo4) | Cryo-EM structure of a Legionella effector complexed with actin and ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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8JO3
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![BU of 8jo3 by Molmil](/molmil-images/mine/8jo3) | Cryo-EM structure of a Legionella effector complexed with actin and AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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8KH8
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![BU of 8kh8 by Molmil](/molmil-images/mine/8kh8) | Crystal structure of FGFR4(V550L) kinase domain with 8z | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | 著者 | Lin, Q.M, Chen, X.J, Chen, Y.H. | 登録日 | 2023-08-21 | 公開日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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8KH6
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![BU of 8kh6 by Molmil](/molmil-images/mine/8kh6) | Crystal structure of FGFR4 kinase domain with 8r | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | 著者 | Lin, Q.M, Chen, X.J, Chen, Y.H. | 登録日 | 2023-08-21 | 公開日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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8KH7
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![BU of 8kh7 by Molmil](/molmil-images/mine/8kh7) | Crystal structure of FGFR4 kinase domain with 8zc | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | 著者 | Lin, Q.M, Chen, X.J, Chen, Y.H. | 登録日 | 2023-08-21 | 公開日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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8KH9
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![BU of 8kh9 by Molmil](/molmil-images/mine/8kh9) | Crystal structure of FGFR4(V550M) kinase domain with 8z | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | 著者 | Lin, Q.M, Chen, X.J, Chen, Y.H. | 登録日 | 2023-08-21 | 公開日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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3KVX
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![BU of 3kvx by Molmil](/molmil-images/mine/3kvx) | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | 分子名称: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | 著者 | Habel, J.E, Laughlin, J.D, LoGrasso, P. | 登録日 | 2009-11-30 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors J.Med.Chem., 53, 2010
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4EF5
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![BU of 4ef5 by Molmil](/molmil-images/mine/4ef5) | Crystal structure of STING CTD | 分子名称: | Transmembrane protein 173 | 著者 | Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J. | 登録日 | 2012-03-29 | 公開日 | 2012-05-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding Immunity, 36, 2012
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