8S9H
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![BU of 8s9h by Molmil](/molmil-images/mine/8s9h) | Crystal structure of monkey TLR7 ectodomain with compound 14 | 分子名称: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Critton, D.A. | 登録日 | 2023-03-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.437 Å) | 主引用文献 | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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8S9C
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![BU of 8s9c by Molmil](/molmil-images/mine/8s9c) | Cryo-EM structure of Nav1.7 with CBZ | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Fan, X, Huang, J, Yan, N. | 登録日 | 2023-03-27 | 公開日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8S9B
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![BU of 8s9b by Molmil](/molmil-images/mine/8s9b) | Cryo-EM structure of Nav1.7 with LCM | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Fan, X, Huang, J, Yan, N. | 登録日 | 2023-03-27 | 公開日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8S96
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![BU of 8s96 by Molmil](/molmil-images/mine/8s96) | RNase A-Adenosine 5'-Heptaphosphate (RNaseA.p7A) | 分子名称: | Ribonuclease pancreatic, adenosine 5'-heptaphosphate | 著者 | Park, G, Cummins, C. | 登録日 | 2023-03-27 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Experimental and Computational Studies for the Effect of Lengthening the Phosphate Chain of Nucleotide on the RNase A Inhibitors. To Be Published
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8S93
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![BU of 8s93 by Molmil](/molmil-images/mine/8s93) | Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | 分子名称: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | 著者 | Lin, D.Y, Andreotti, A.H. | 登録日 | 2023-03-27 | 公開日 | 2023-08-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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8S8C
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![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | 分子名称: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Day, P.J, Cleasby, A. | 登録日 | 2024-03-06 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 2024
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8S4G
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![BU of 8s4g by Molmil](/molmil-images/mine/8s4g) | Cryo-EM structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 at 3.2 Angstrom resolution | 分子名称: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | 著者 | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | 登録日 | 2024-02-21 | 公開日 | 2024-03-13 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | New structural features of the APC/C revealed by high resolution cryo-EM structures of apo-APC/C and the APC/C-CDH1-EMI1 complex To Be Published
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8S0S
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![BU of 8s0s by Molmil](/molmil-images/mine/8s0s) | A fragment-based inhibitor of SHP2 | 分子名称: | (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0Q
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![BU of 8s0q by Molmil](/molmil-images/mine/8s0q) | A fragment-based inhibitor of SHP2 | 分子名称: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0P
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![BU of 8s0p by Molmil](/molmil-images/mine/8s0p) | A fragment-based inhibitor of SHP2 | 分子名称: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0O
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![BU of 8s0o by Molmil](/molmil-images/mine/8s0o) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.834 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0K
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![BU of 8s0k by Molmil](/molmil-images/mine/8s0k) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0J
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![BU of 8s0j by Molmil](/molmil-images/mine/8s0j) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0I
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![BU of 8s0i by Molmil](/molmil-images/mine/8s0i) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0H
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![BU of 8s0h by Molmil](/molmil-images/mine/8s0h) | A fragment-based inhibitor of SHP2 | 分子名称: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S07
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![BU of 8s07 by Molmil](/molmil-images/mine/8s07) | A fragment-based inhibitor of SHP2 | 分子名称: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S06
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![BU of 8s06 by Molmil](/molmil-images/mine/8s06) | A fragment-based inhibitor of SHP2 | 分子名称: | 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S04
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![BU of 8s04 by Molmil](/molmil-images/mine/8s04) | A fragment-based inhibitor of SHP2 | 分子名称: | N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S01
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![BU of 8s01 by Molmil](/molmil-images/mine/8s01) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZY
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![BU of 8rzy by Molmil](/molmil-images/mine/8rzy) | A fragment-based inhibitor of SHP2 | 分子名称: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZW
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![BU of 8rzw by Molmil](/molmil-images/mine/8rzw) | A fragment-based inhibitor of SHP2 | 分子名称: | 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZB
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![BU of 8rzb by Molmil](/molmil-images/mine/8rzb) | IL-1beta in complex with covalent DEL hit | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S. | 登録日 | 2024-02-12 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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8RZ6
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![BU of 8rz6 by Molmil](/molmil-images/mine/8rz6) | SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase | 分子名称: | FORMIC ACID, GLYCEROL, POTASSIUM ION, ... | 著者 | Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T. | 登録日 | 2024-02-12 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain. Sci Adv, 10, 2024
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8RYK
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![BU of 8ryk by Molmil](/molmil-images/mine/8ryk) | |
8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | 登録日 | 2024-02-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 2024
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