7F50
 
 | | X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP | | 分子名称: | CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ... | | 著者 | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2021-06-21 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | | 主引用文献 | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
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7NA8
 | | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | | 分子名称: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine], Antibody fragment, CHOLESTEROL, ... | | 著者 | Liu, H, Sun, D, Sun, J, Zhang, C. | | 登録日 | 2021-06-20 | | 公開日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Nat Commun, 12, 2021
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7NA7
 | | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | | 分子名称: | Antibody fragment, CHOLESTEROL, Ghrelin-27, ... | | 著者 | Liu, H, Sun, D, Sun, J, Zhang, C. | | 登録日 | 2021-06-20 | | 公開日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Nat Commun, 12, 2021
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7F49
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7F4H
 | | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16 | | 分子名称: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | | 登録日 | 2021-06-18 | | 公開日 | 2021-09-08 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
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7F4D
 | | Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | | 分子名称: | CALCIUM ION, 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 | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | | 登録日 | 2021-06-18 | | 公開日 | 2021-09-08 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
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7F4F
 | | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16 | | 分子名称: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | | 登録日 | 2021-06-18 | | 公開日 | 2021-09-08 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
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7F4I
 | | Cryo-EM structure of SHU9119-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | | 分子名称: | CALCIUM ION, 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 | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | | 登録日 | 2021-06-18 | | 公開日 | 2021-09-08 | | 最終更新日 | 2022-02-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
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7OW9
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine | | 分子名称: | (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione, CYPX, NITRATE ION, ... | | 著者 | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | | 登録日 | 2021-06-17 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
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7OW8
 | | CryoEM structure of the ABC transporter BmrA E504A mutant in complex with ATP-Mg | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | 著者 | Gobet, A, Schoehn, G, Falson, P, Chaptal, V. | | 登録日 | 2021-06-17 | | 公開日 | 2022-01-19 | | 最終更新日 | 2022-02-02 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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7N91
 | | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | | 分子名称: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | 著者 | Mochalkin, I. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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7N93
 | | P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | | 分子名称: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | 著者 | Mochalkin, I. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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7F3H
 | | Crystal structure of cytochrome P450DA heme domain | | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ... | | 著者 | Wan, N.W. | | 登録日 | 2021-06-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
Catalysis Science And Technology, 12, 2022
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7F3O
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | | 分子名称: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2021-06-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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7F3G
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7OVM
 | | Protein kinase MKK7 in complex with cyclobutyl-substituted indazole | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide | | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVK
 | | Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine | | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | | 著者 | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVN
 | | Protein kinase MKK7 in complex with tolyl-substituted indazole | | 分子名称: | 3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide, Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVJ
 | | Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine | | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVL
 | | Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole | | 分子名称: | 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide, Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVI
 | | Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | 著者 | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7N8T
 | | Crystal Structure of AMP-bound Human JNK2 | | 分子名称: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | | 著者 | Li, L, Gurbani, D, Westover, K.D. | | 登録日 | 2021-06-15 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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7F2X
 | | Crystal structure of MEK1 C121S mutant | | 分子名称: | MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Fujioka, Y, Noda, N.N. | | 登録日 | 2021-06-15 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | | 主引用文献 | Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer.
Nat Commun, 13, 2022
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7OUT
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264 | | 分子名称: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | 著者 | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | 登録日 | 2021-06-13 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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7N86
 | | Crystal Structure of Human Protocadherin-24 EC1-2 Form II | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Modak, D, Gray, M.E, Sotomayor, M. | | 登録日 | 2021-06-13 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.175 Å) | | 主引用文献 | Heterophilic and homophilic cadherin interactions in intestinal intermicrovillar links are species dependent.
Plos Biol., 19, 2021
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