8AO3
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![BU of 8ao3 by Molmil](/molmil-images/mine/8ao3) | Specific covalent inhibitor of ERK2 | 分子名称: | 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AO2
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![BU of 8ao2 by Molmil](/molmil-images/mine/8ao2) | Specific covalent inhibitor (3) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8ANS
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![BU of 8ans by Molmil](/molmil-images/mine/8ans) | Crystal structure of D1228V c-MET bound by compound 1. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2022-08-05 | 公開日 | 2022-08-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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8ANF
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![BU of 8anf by Molmil](/molmil-images/mine/8anf) | Small molecule stabilizer for ERalpha and 14-3-3 (1074359) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-05 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ANE
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![BU of 8ane by Molmil](/molmil-images/mine/8ane) | Structure of the type I-G CRISPR effector | 分子名称: | Cas7, RNA (66-MER) | 著者 | Shangguan, Q, Graham, S, Sundaramoorthy, R, White, M.F. | 登録日 | 2022-08-05 | 公開日 | 2022-11-09 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structure and mechanism of the type I-G CRISPR effector. Nucleic Acids Res., 50, 2022
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8AN8
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![BU of 8an8 by Molmil](/molmil-images/mine/8an8) | Crystal structure of wild-type c-MET bound by compound 7. | 分子名称: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | 著者 | Collie, G.W. | 登録日 | 2022-08-04 | 公開日 | 2022-08-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | 主引用文献 | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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8AN6
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8AN5
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![BU of 8an5 by Molmil](/molmil-images/mine/8an5) | MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv | 分子名称: | Bacterial toxin, Conserved protein | 著者 | Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. | 登録日 | 2022-08-04 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding. Nat Commun, 14, 2023
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8AMX
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![BU of 8amx by Molmil](/molmil-images/mine/8amx) | AQP7 dimer of tetramers_D4 | 分子名称: | Aquaporin-7 | 著者 | Huang, P, Venskutonyte, R, Fan, X, Li, P, Yan, N, Gourdon, P, Lindkvist-Petersson, K. | 登録日 | 2022-08-04 | 公開日 | 2023-02-15 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Cryo-EM structure supports a role of AQP7 as a junction protein. Nat Commun, 14, 2023
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8AMW
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![BU of 8amw by Molmil](/molmil-images/mine/8amw) | AQP7 dimer of tetramers_C1 | 分子名称: | Aquaporin-7, GLYCEROL | 著者 | Huang, P, Venskutonyte, R, Fan, X, Li, P, Yan, N, Gourdon, P, Lindkvist-Petersson, K. | 登録日 | 2022-08-04 | 公開日 | 2023-02-15 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structure supports a role of AQP7 as a junction protein. Nat Commun, 14, 2023
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8AMT
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![BU of 8amt by Molmil](/molmil-images/mine/8amt) | OBD-RepB pMV158 domain | 分子名称: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Machon, C, Amodio, J, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | 登録日 | 2022-08-04 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein. Nucleic Acids Res., 51, 2023
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8AMS
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![BU of 8ams by Molmil](/molmil-images/mine/8ams) | Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ... | 著者 | Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J. | 登録日 | 2022-08-04 | 公開日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and biophysical studies of TRIM2 and TRIM3 To Be Published
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8AMR
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![BU of 8amr by Molmil](/molmil-images/mine/8amr) | Coiled-coil domain of human TRIM3 | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Tripartite motif-containing protein 3 | 著者 | Perez-Borrajero, C, Murciano, B, Hennig, J. | 登録日 | 2022-08-04 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structural and biophysical studies of TRIM2 and TRIM3 To Be Published
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8AMO
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![BU of 8amo by Molmil](/molmil-images/mine/8amo) | Crystal structure of M. tuberculosis CYP143 | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2022-08-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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8AMH
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![BU of 8amh by Molmil](/molmil-images/mine/8amh) | |
8AM8
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![BU of 8am8 by Molmil](/molmil-images/mine/8am8) | |
8AM6
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![BU of 8am6 by Molmil](/molmil-images/mine/8am6) | |
8AM3
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8AM2
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![BU of 8am2 by Molmil](/molmil-images/mine/8am2) | Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | 登録日 | 2022-08-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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8AM1
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![BU of 8am1 by Molmil](/molmil-images/mine/8am1) | Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | 登録日 | 2022-08-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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8AM0
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![BU of 8am0 by Molmil](/molmil-images/mine/8am0) | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | 分子名称: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Goncalves, M, Johnson, J.L, Roewer, K.M. | 登録日 | 2022-08-02 | 公開日 | 2023-12-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | 主引用文献 | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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8ALX
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![BU of 8alx by Molmil](/molmil-images/mine/8alx) | Structure of human PD-L1 in complex with inhibitor | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | 著者 | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | 登録日 | 2022-08-01 | 公開日 | 2023-08-16 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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8ALS
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8ALO
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![BU of 8alo by Molmil](/molmil-images/mine/8alo) | Heterodimer formation of sensory domains of Vibrio cholerae regulators ToxR and ToxS | 分子名称: | Cholera toxin transcriptional activator, Transmembrane regulatory protein ToxS | 著者 | Gubensaek, N, Sagmeister, T, Pavkov-Keller, T, Zangger, K, Buhlheller, C, Wagner, G.E. | 登録日 | 2022-08-01 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | Vibrio cholerae's ToxRS bile sensing system. Elife, 12, 2023
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8ALN
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![BU of 8aln by Molmil](/molmil-images/mine/8aln) | CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.34 Angstrom | 分子名称: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | 著者 | Duan, J, Hofmann, E, Happe, T. | 登録日 | 2022-08-01 | 公開日 | 2022-12-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
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