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2RC7
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CRYSTAL STRUCTURE OF THE NR3A LIGAND BINDING CORE COMPLEX WITH GLYCINE AT 1.58 ANGSTROM RESOLUTION
Descriptor:Glutamate [NMDA] receptor subunit 3A, BROMIDE ION, CHLORIDE ION, ...
Authors:Yao, Y., Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC8
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CRYSTAL STRUCTURE OF THE NR3A LIGAND BINDING CORE COMPLEX WITH D-SERINE AT 1.45 ANGSTROM RESOLUTION
Descriptor:Glutamate [NMDA] receptor subunit 3A, CHLORIDE ION, D-SERINE, ...
Authors:Yao, Y., Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC9
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CRYSTAL STRUCTURE OF THE NR3A LIGAND BINDING CORE COMPLEX WITH ACPC AT 1.96 ANGSTROM RESOLUTION
Descriptor:Glutamate [NMDA] receptor subunit 3A, 1-AMINOCYCLOPROPANECARBOXYLIC ACID
Authors:Yao, Y., Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RCA
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CRYSTAL STRUCTURE OF THE NR3B LIGAND BINDING CORE COMPLEX WITH GLYCINE AT 1.58 ANGSTROM RESOLUTION
Descriptor:Glutamate [NMDA] receptor subunit 3B, GLYCINE, GLYCEROL
Authors:Yao, Y., Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RCB
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CRYSTAL STRUCTURE OF THE NR3B LIGAND BINDING CORE COMPLEX WITH D-SERINE AT 1.62 ANGSTROM RESOLUTION
Descriptor:Glutamate [NMDA] receptor subunit 3B, D-SERINE, GLYCEROL
Authors:Yao, Y., Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
1NMI
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SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF ISO-1 CYTOCHROME C
Descriptor:Cytochrome c, iso-1, IMIDAZOLE, ...
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:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the imidazole complex of iso-1 cytochrome c
To be Published
1I5T
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SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C
Descriptor:CYTOCHROME C, CYANIDE ION, 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:2011-07-13
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
2AVX
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SOLUTION STRUCTURE OF E COLI SDIA1-171
Descriptor:Regulatory protein sdiA, N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
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:2011-07-13
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
2LBT
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SOLUTION STRUCTURE OF THE C DOMAIN OF RV0899(D236A) FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Uncharacterized protein Rv0899/MT0922
Authors:Yao, Y., Marassi, F.
Deposit date:2011-04-06
Release date:2012-01-04
Last modified:2012-02-15
Method:SOLUTION NMR
Cite:Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).
J.Mol.Biol., 416, 2012
4KCD
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CRYSTAL STRUCTURE OF THE NMDA RECEPTOR GLUN3A LIGAND BINDING DOMAIN APO STATE
Descriptor:Glutamate receptor ionotropic, NMDA 3A, GLYCEROL
Authors:Yao, Y., Lau, A.Y., Mayer, M.L.
Deposit date:2013-04-24
Release date:2013-07-31
Last modified:2017-08-02
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
6MO0
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STRUCTURE OF DENGUE VIRUS PROTEASE WITH AN ALLOSTERIC INHIBITOR THAT BLOCKS REPLICATION
Descriptor:FLAVIVIRUS_NS2B/Peptidase S7, 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine
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
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
6MO1
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STRUCTURE OF DENGUE VIRUS PROTEASE WITH AN ALLOSTERIC INHIBITOR THAT BLOCKS REPLICATION
Descriptor:FLAVIVIRUS_NS2B/Peptidase S7, 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine
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
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
6MO2
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STRUCTURE OF DENGUE VIRUS PROTEASE WITH AN ALLOSTERIC INHIBITOR THAT BLOCKS REPLICATION
Descriptor:FLAVIVIRUS_NS2B/Peptidase S7, 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
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
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
3SR4
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH A SELECTIVE INHIBITOR
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-79 specific, (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ...
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:2011-11-16
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
2LCA
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SOLUTION STRUCTURE OF THE C DOMAIN OF RV0899 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Uncharacterized protein Rv0899/MT0922
Authors:Marassi, F., Yao, Y.
Deposit date:2011-04-26
Release date:2012-01-04
Last modified:2012-02-15
Method:SOLUTION NMR
Cite:Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).
J.Mol.Biol., 416, 2012
5V9U
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CRYSTAL STRUCTURE OF SMALL MOLECULE ARS-1620 COVALENTLY BOUND TO K-RAS G12C
Descriptor:GTPase KRas, CALCIUM ION, (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, ...
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
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
2N2L
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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:2015-10-07
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
2N2M
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NMR STRUCTURE OF YERSINIA PESTIS AIL (ATTACHMENT INVASION LOCUS) IN DECYLPHOSPHOCHOLINE MICELLES
Descriptor:Outer membrane protein X
Authors:Marassi, F.M., Ding, Y., Yao, Y.
Deposit date:2015-05-10
Release date:2015-07-22
Last modified:2015-10-07
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
1I5U
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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:2011-07-13
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
1M60
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SOLUTION STRUCTURE OF ZINC-SUBSTITUTED CYTOCHROME C
Descriptor:Zinc-substituted cytochrome c, ZINC SUBSTITUTED HEME C
Authors:Qian, C., Yao, Y., Tong, Y., Wang, J., Tang, W.
Deposit date:2002-07-11
Release date:2002-08-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural analysis of zinc-substituted cytochrome c.
J.Biol.Inorg.Chem., 8, 2003
4I3K
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH 1-HYDROXY-6-(4-HYDROXYBENZYL)-4-METHYLPYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
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:2019-07-17
Method:X-RAY DIFFRACTION (3.3056 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
4I3L
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH 6-BENZYL-1-HYDROXY-4-METHYLPYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
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:2013-07-10
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
4XRX
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH (E)-5-((1-METHYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YLIDENE)METHYL)PYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one
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:2019-12-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XS3
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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:Isocitrate dehydrogenase [NADP] cytoplasmic, (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, 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:2019-12-18
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
5Z4U
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CRYSTAL STRUCTURE OF T2R-TTL COMPLEX WITH 7A3
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Lai, Q., Wang, Y., Yang, J., Yao, Y.
Deposit date:2018-01-14
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Crystal Structure of T2R-TTL complex with 7a3
To Be Published
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