7EWB
| GDP-bound KRAS G12D in complex with TH-Z835 | 分子名称: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EW9
| GDP-bound KRAS G12D in complex with TH-Z816 | 分子名称: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWA
| GDP-bound KRAS G12D in complex with TH-Z827 | 分子名称: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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8IHS
| Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | 分子名称: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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8IHR
| Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | 分子名称: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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8IHQ
| Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | 分子名称: | Amidohydrolase family protein, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-23 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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6OQO
| CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | 分子名称: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | 著者 | Murray, J.M, Boenig, G.D.L. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6OQL
| CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | 著者 | Murray, J.M. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.707 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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8IH4
| Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | 分子名称: | Butyrophilin subfamily 2 member A2 | 著者 | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2023-02-22 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IGT
| Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | 分子名称: | Butyrophilin subfamily 2 member A1, ZINC ION | 著者 | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | 登録日 | 2023-02-21 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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6OO2
| Vps4 with Cyclic Peptide Bound in the Central Pore | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ... | 著者 | Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P. | 登録日 | 2019-04-22 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases. Elife, 8, 2019
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6OQI
| CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | 著者 | Murray, J.M. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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5UIE
| Vps4-Vta1 complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DOA4-independent degradation protein 4, ... | 著者 | Monroe, N, Shen, P, Han, H, Sundquist, W.I, Hill, C.P. | 登録日 | 2017-01-13 | 公開日 | 2017-04-12 | 最終更新日 | 2020-01-01 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structural basis of protein translocation by the Vps4-Vta1 AAA ATPase. Elife, 6, 2017
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6BMF
| Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | 著者 | Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P. | 登録日 | 2017-11-14 | 公開日 | 2017-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets. Elife, 6, 2017
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8TH3
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8TH4
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6AP1
| Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p | 分子名称: | ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | 著者 | Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P. | 登録日 | 2017-08-16 | 公開日 | 2017-12-06 | 最終更新日 | 2018-07-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets. Elife, 6, 2017
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8HJT
| Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | 著者 | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-11-23 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8W8D
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6NDY
| Vps4 with Cyclic Peptide Bound in the Central Pore | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ... | 著者 | Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P. | 登録日 | 2018-12-14 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases. Elife, 8, 2019
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8J85
| Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 mutant S88E in complex with ochratoxin A | 分子名称: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | 著者 | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-04-30 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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8GK7
| MsbA bound to cerastecin C | 分子名称: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Chen, Y, Klein, D. | 登録日 | 2023-03-17 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii. Nat Microbiol, 9, 2024
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7Y9O
| Crystal structure of a CYP109B4 variant from Bacillus sonorensis | 分子名称: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | 著者 | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-06-25 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y97
| Crystal structure of CYP109B4 from Bacillus Sonorensis | 分子名称: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-06-24 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y98
| Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | 分子名称: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | 著者 | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-06-24 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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