2RC8
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2RC9
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2RCA
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2RCB
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2RC7
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1NMI
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![BU of 1nmi by Molmil](/molmil-images/mine/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
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![BU of 2avx by Molmil](/molmil-images/mine/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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4KCD
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![BU of 4kcd by Molmil](/molmil-images/mine/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: | 2023-09-20 | 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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1I5T
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![BU of 1i5t by Molmil](/molmil-images/mine/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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6X7I
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6MO1
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![BU of 6mo1 by Molmil](/molmil-images/mine/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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6MO0
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![BU of 6mo0 by Molmil](/molmil-images/mine/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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6MO2
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![BU of 6mo2 by Molmil](/molmil-images/mine/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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3SR4
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![BU of 3sr4 by Molmil](/molmil-images/mine/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
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![BU of 1m60 by Molmil](/molmil-images/mine/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
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![BU of 2qc1 by Molmil](/molmil-images/mine/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: | 2023-08-30 | 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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4XS3
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![BU of 4xs3 by Molmil](/molmil-images/mine/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
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![BU of 4xrx by Molmil](/molmil-images/mine/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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1FNT
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![BU of 1fnt by Molmil](/molmil-images/mine/1fnt) | CRYSTAL STRUCTURE OF THE 20S PROTEASOME FROM YEAST IN COMPLEX WITH THE PROTEASOME ACTIVATOR PA26 FROM TRYPANOSOME BRUCEI AT 3.2 ANGSTROMS RESOLUTION | Descriptor: | MAGNESIUM ION, PROTEASOME ACTIVATOR PROTEIN PA26, PROTEASOME COMPONENT C1, ... | Authors: | Whitby, F.G, Masters, E, Kramer, L, Knowlton, J.R, Yao, Y, Wang, C.C, Hill, C.P. | Deposit date: | 2000-08-23 | Release date: | 2001-04-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for the activation of 20S proteasomes by 11S regulators. Nature, 408, 2000
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1I5U
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![BU of 1i5u by Molmil](/molmil-images/mine/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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4I3L
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![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | Descriptor: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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2N2L
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![BU of 2n2l by Molmil](/molmil-images/mine/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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