9ASW
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)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-[(3-fluorophenyl)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 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 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., 2024
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8YGW
 | | The Crystal Structure of MAPK11 from Biortus | | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 11 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | | 登録日 | 2024-02-27 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.301 Å) | | 主引用文献 | The Crystal Structure of MAPK11 from Biortus.
To Be Published
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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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8WRJ
 | | glycosyltransferase UGT74AN3 | | 分子名称: | 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | 著者 | Huang, W, Long, F. | | 登録日 | 2023-10-15 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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8WBQ
 | | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q complexed with L-TA. | | 分子名称: | Epoxide hydrolase, L(+)-TARTARIC ACID | | 著者 | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | | 登録日 | 2023-09-10 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
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8VU1
 | | Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (trigonal form) | | 分子名称: | S1CE3 VARIANT OF FAB-EPR-1 heavy chain, S1CE3 VARIANT OF FAB-EPR-1 light chain | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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9AT4
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-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-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-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 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 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., 2024
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8VKF
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8UDU
 | | The X-RAY co-crystal structure of human FGFR3 and Compound 17 | | 分子名称: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8V8X
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9EZ1
 | | Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | | 分子名称: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | | 著者 | Rochel, N. | | 登録日 | 2024-04-10 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
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8WF4
 | | The Crystal Structure of RSK1 from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1 | | 著者 | Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J. | | 登録日 | 2023-09-19 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Crystal Structure of RSK1 from Biortus.
To Be Published
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8UCY
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8WRK
 | | glycosyltransferase UGT74AN3 | | 分子名称: | Glycosyltransferase, PICEATANNOL, URIDINE-5'-DIPHOSPHATE | | 著者 | Huang, W, Long, F. | | 登録日 | 2023-10-15 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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8Y9V
 | | ZIKV NS2B/NS3 protease | | 分子名称: | DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S. | | 登録日 | 2024-02-07 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
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8WFF
 | | The Crystal Structure of LYN from Biortus. | | 分子名称: | CHLORIDE ION, CITRATE ANION, Tyrosine-protein kinase Lyn | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Lu, Y. | | 登録日 | 2023-09-19 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of LYN from Biortus.
To Be Published
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8UTK
 | | IL-23R minibinder - 23R-B04dslf02IB | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ... | | 著者 | Bera, A.K, Berger, S.A, Kang, A, Baker, D. | | 登録日 | 2023-10-31 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 2024
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9AT6
 | | Crystal structure of SARS-CoV-2 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 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 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., 2024
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8VEC
 | | Deep Mutational Scanning of SARS-CoV-2 PLpro | | 分子名称: | Papain-like protease nsp3, ZINC ION | | 著者 | Wu, X, Nguyen, J.V, Call, M.E, Call, M.J. | | 登録日 | 2023-12-18 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mutational Profiling of SARS-CoV-2 PLpro in human cells reveals requirements for function, structure, and drug escape
Biorxiv, 2024
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9EY8
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8VGZ
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8UKS
 | | RNA polymerase II elongation complex with Fapy-dG lesion soaking with CTP before chemistry | | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | 著者 | Hou, P, Oh, J, Wang, D. | | 登録日 | 2023-10-15 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
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8YHK
 | | The Crystal Structure of P21-Activated Kinases Pak4 from Biortus | | 分子名称: | Serine/threonine-protein kinase PAK 4, TRIETHYLENE GLYCOL | | 著者 | Wang, F, Cheng, W, Lv, Z, Qi, J, Wu, B. | | 登録日 | 2024-02-28 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | The Crystal Structure of P21-Activated Kinases Pak4 from Biortus
To Be Published
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8UQZ
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | | 著者 | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | 登録日 | 2023-10-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8WFY
 | | The Crystal Structure of SHP2 from Biortus. | | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | 登録日 | 2023-09-20 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Crystal Structure of SHP2 from Biortus.
To Be Published
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