2RCB
 
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2RC8
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2RC9
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2RCA
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2RC7
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1NMI
 | | Solution structure of the imidazole complex of iso-1 cytochrome c | | Descriptor: | Cytochrome c, iso-1, HEME C, ... | | Authors: | Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W. | | Deposit date: | 2003-01-10 | | Release date: | 2003-02-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the imidazole complex of iso-1 cytochrome c
To be Published
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2AVX
 | | solution structure of E coli SdiA1-171 | | Descriptor: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE, Regulatory protein sdiA | | Authors: | Yao, Y, Martinez-Yamout, M.A, Dickerson, T.J, Brogan, A.P, Wright, P.E, Dyson, H.J. | | Deposit date: | 2005-08-30 | | Release date: | 2006-06-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Escherichia coli quorum sensing protein SdiA: activation of the folding switch by acyl homoserine lactones.
J.Mol.Biol., 355, 2006
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1I5T
 | | SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C | | Descriptor: | CYANIDE ION, CYTOCHROME C, HEME C | | Authors: | Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W. | | Deposit date: | 2001-02-28 | | Release date: | 2001-03-21 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety.
J.Biol.Inorg.Chem., 7, 2002
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2LBT
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4KCD
 | | Crystal Structure of the NMDA Receptor GluN3A Ligand Binding Domain Apo State | | Descriptor: | GLYCEROL, Glutamate receptor ionotropic, NMDA 3A | | Authors: | Yao, Y, Lau, A.Y, Mayer, M.L. | | Deposit date: | 2013-04-24 | | Release date: | 2013-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics.
Structure, 21, 2013
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6MO0
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J. Am. Chem. Soc., 141, 2019
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6MO1
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
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6MO2
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
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2LCA
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6X7I
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3SR4
 | | Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | | Descriptor: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | | Deposit date: | 2011-07-06 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies.
J.Am.Chem.Soc., 133, 2011
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1M60
 | | Solution Structure of Zinc-substituted cytochrome c | | Descriptor: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | | Authors: | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | | Deposit date: | 2002-07-11 | | Release date: | 2002-08-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of zinc-substituted cytochrome c.
J.Biol.Inorg.Chem., 8, 2003
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2QC1
 | | Crystal structure of the extracellular domain of the nicotinic acetylcholine receptor 1 subunit bound to alpha-bungarotoxin at 1.9 A resolution | | Descriptor: | Acetylcholine receptor subunit alpha, Alpha-bungarotoxin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Dellisanti, C.D, Yao, Y, Stroud, J.C, Wang, Z, Chen, L. | | Deposit date: | 2007-06-18 | | Release date: | 2007-08-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution.
Nat.Neurosci., 10, 2007
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1NMJ
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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4XS3
 | | Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2016-07-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.291 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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4XRX
 | | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | | Descriptor: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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1I5U
 | | SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | | Deposit date: | 2001-02-28 | | Release date: | 2001-03-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c.
Protein Sci., 10, 2001
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2N2L
 | | NMR structure of yersinia pestis ail (attachment invasion locus) in decylphosphocholine micelles calculated with implicit membrane solvation | | Descriptor: | Outer membrane protein X | | Authors: | Marassi, F.M, Ding, Y, Tian, Y, Schwieters, C.D, Yao, Y. | | Deposit date: | 2015-05-10 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.
J.Biomol.Nmr, 63, 2015
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2N2M
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