9FQI
 
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | 分子名称: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | 分子名称: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FQH
 | | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | | 分子名称: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FP5
 | | Coxsackievirus A9 bound with CL213. | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | 著者 | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | 登録日 | 2024-06-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9FO2
 | | Coxsackievirus A9 bound with compound 15 (CL278) | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | 著者 | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | 登録日 | 2024-06-11 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9FO5
 | | Coxsackievirus A9 bound with compound 19 (CL313) | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | 著者 | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | 登録日 | 2024-06-11 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | | 主引用文献 | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9C82
 | | Structure of human ULK1C:PI3KC3-C1 supercomplex | | 分子名称: | Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | 著者 | Chen, M, Hurley, J.H. | | 登録日 | 2024-06-11 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (6.84 Å) | | 主引用文献 | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
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9C7A
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9C7B
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8ZUL
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m | | 分子名称: | 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-09 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.80026162 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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8ZUD
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f | | 分子名称: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-08 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.50510085 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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9C62
 | | P400 subcomplex of the native human TIP60 complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-07 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (5.28 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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8ZU2
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g | | 分子名称: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-07 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.79888582 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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9C6N
 | | ARP module of the human TIP60 complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-07 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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8ZTX
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b | | 分子名称: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-07 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.70033228 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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8ZRT
 | | Cryo-EM structure focused on the receptor of the ET-1 bound ETBR-DNGI complex | | 分子名称: | Endothelin receptor type B, Endothelin-1 | | 著者 | Tani, K, Maki-Yonekura, S, Kanno, R, Negami, T, Hamaguchi, T, Hall, M, Mizoguchi, A, Humbel, B.M, Terada, T, Yonekura, K, Doi, T. | | 登録日 | 2024-06-05 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | | 主引用文献 | Structure of endothelin ETB receptor-Gi complex in a conformation stabilized by the unique NPxxL motif
Commun Biol, 2024
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8ZSS
 | | Cryo-EM structure of the RO5263397-bound hTAAR1-Gs complex | | 分子名称: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | | 登録日 | 2024-06-05 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZSP
 | | Cryo-EM structure of the LSD-bound hTAAR1-Gs complex | | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | | 登録日 | 2024-06-05 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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9FMD
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9C57
 | | Reconstituted P400 Subcomplex of the human TIP60 complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-05 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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8ZSV
 | | Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | | 分子名称: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | | 登録日 | 2024-06-05 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZSJ
 | | Cryo-EM structure of the apo hTAAR1-Gs complex | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Jiang, K.X, Zheng, Y, Xu, F. | | 登録日 | 2024-06-05 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZR5
 | | Cryo-EM Structure of GPR119-Gs-Firuglipel complex | | 分子名称: | 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Wong, T.S, Zeng, Z.C, Xiong, T.T, Gan, S.Y, Qiu, C, Du, Y. | | 登録日 | 2024-06-04 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Cryo-EM structure of GPR119-Gs complex
To Be Published
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8ZRK
 | | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist GSK-1292263 | | 分子名称: | 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Wong, T.S, Xiong, T.T, Zeng, Z.C, Gan, S.Y, Qiu, C, Du, Y. | | 登録日 | 2024-06-04 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Cryo-EM structure of GPR119-Gs complex
To be published
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9C4B
 | | Second BAF53a of the human TIP60 complex | | 分子名称: | Actin-like protein 6A | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-03 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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