9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | 分子名称: | Genome polyprotein | 著者 | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | 登録日 | 2024-06-28 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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8XVX
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8PC7
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9EMA
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![BU of 9ema by Molmil](/molmil-images/mine/9ema) | RUVBL1/2 in complex with ATP and CB-6644 inhibitor | 分子名称: | 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Lopez-Perrote, A, Llorca, O, Garcia-Martin, C. | 登録日 | 2024-03-07 | 公開日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644 Cell Rep Phys Sci, 2024
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8ZM1
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![BU of 8zm1 by Molmil](/molmil-images/mine/8zm1) | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | 分子名称: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 著者 | Akai, S, Orita, T, Nomura, A, Adachi, T. | 登録日 | 2024-05-22 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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8ZN4
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![BU of 8zn4 by Molmil](/molmil-images/mine/8zn4) | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | 著者 | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | 登録日 | 2024-05-25 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution To Be Published
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9B9R
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8OVX
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![BU of 8ovx by Molmil](/molmil-images/mine/8ovx) | Cryo-EM structure of yeast CENP-OPQU+ bound to the CENP-A N-terminus | 分子名称: | Inner kinetochore subunit AME1, Inner kinetochore subunit CTF19, Inner kinetochore subunit MCM21, ... | 著者 | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S. | 登録日 | 2023-04-26 | 公開日 | 2023-08-09 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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8Y6P
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/9fwg) | LSD1/CoREST bound to bomedemstat | 分子名称: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | 著者 | Speranzini, V, Mattevi, A. | 登録日 | 2024-06-30 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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8OWN
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9BN8
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8WII
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![BU of 8wii by Molmil](/molmil-images/mine/8wii) | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with Obafluorin | 分子名称: | Threonine--tRNA ligase, ZINC ION, ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide | 著者 | Qiao, H, Wang, Z, Wang, J, Fang, P. | 登録日 | 2023-09-24 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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9ATH
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![BU of 9ath by Molmil](/molmil-images/mine/9ath) | Crystal structure of MERS 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8ZND
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9F63
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8OLU
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9ARQ
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![BU of 9arq by Molmil](/molmil-images/mine/9arq) | Crystal structure of SARS-CoV-2 main protease (authentic protein) in complex with an inhibitor TKB-245 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | 登録日 | 2024-02-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | 分子名称: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | 登録日 | 2024-04-26 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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9ARD
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9FSE
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![BU of 9fse by Molmil](/molmil-images/mine/9fse) | Human ROR2 cysteine-rich domain (CRD) and Kringle domain | 分子名称: | SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2 | 著者 | Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H. | 登録日 | 2024-06-20 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling. Elife, 13, 2024
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8VEM
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![BU of 8vem by Molmil](/molmil-images/mine/8vem) | IsPETase - ACCE mutant | 分子名称: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | 著者 | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | 登録日 | 2023-12-19 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.711 Å) | 主引用文献 | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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8YU9
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![BU of 8yu9 by Molmil](/molmil-images/mine/8yu9) | Tubulin-RB3-TTL in complex with compound SI10 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... | 著者 | Wu, C.Y, Wang, Y.X. | 登録日 | 2024-03-27 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | The crystal structure of tubulin-RB3-TTL in complex with compound AB10 To Be Published
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9BLG
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![BU of 9blg by Molmil](/molmil-images/mine/9blg) | Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 | 分子名称: | (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Bester, S.M, Wu, W.-I, Mou, T.-C. | 登録日 | 2024-04-30 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023
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8W2F
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![BU of 8w2f by Molmil](/molmil-images/mine/8w2f) | Plasmodium falciparum 20S proteasome bound to an inhibitor | 分子名称: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | 著者 | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | 登録日 | 2024-02-20 | 公開日 | 2024-07-31 | 最終更新日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria. Cell Chem Biol, 2024
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