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1NMI
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BU of 1nmi by Molmil
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
2RCA
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BU of 2rca by Molmil
Crystal structure of the NR3B ligand binding core complex with glycine at 1.58 Angstrom resolution
Descriptor: GLYCEROL, GLYCINE, Glutamate [NMDA] receptor subunit 3B
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
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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BU of 2rcb by Molmil
Crystal structure of the NR3B ligand binding core complex with D-serine at 1.62 Angstrom resolution
Descriptor: D-SERINE, GLYCEROL, Glutamate [NMDA] receptor subunit 3B
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC7
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BU of 2rc7 by Molmil
Crystal structure of the NR3A ligand binding core complex with glycine at 1.58 Angstrom resolution
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
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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BU of 2rc8 by Molmil
Crystal structure of the NR3A ligand binding core complex with D-serine at 1.45 Angstrom resolution
Descriptor: CHLORIDE ION, 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 (1.45 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC9
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BU of 2rc9 by Molmil
Crystal structure of the NR3A ligand binding core complex with ACPC at 1.96 Angstrom resolution
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit 3A
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
1I5T
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BU of 1i5t by Molmil
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
2LBT
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BU of 2lbt by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).
J.Mol.Biol., 416, 2012
2AVX
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BU of 2avx by Molmil
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:2021-10-20
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
4KCD
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BU of 4kcd by Molmil
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
6X7I
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BU of 6x7i by Molmil
Structure of the C-terminal domain of BCL-XL in membrane
Descriptor: Bcl-2-like protein 1
Authors:Yao, Y, Tian, Y, Marassi, F.M.
Deposit date:2020-05-30
Release date:2020-07-01
Last modified:2023-06-14
Method:SOLID-STATE NMR, SOLUTION NMR
Cite:Conformational States of the Cytoprotective Protein Bcl-xL.
Biophys.J., 119, 2020
2LCA
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BU of 2lca by Molmil
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:2023-12-06
Method:SOLUTION NMR
Cite:Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).
J.Mol.Biol., 416, 2012
6MO1
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BU of 6mo1 by Molmil
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
6MO0
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BU of 6mo0 by Molmil
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
6MO2
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BU of 6mo2 by Molmil
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
3SR4
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BU of 3sr4 by Molmil
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
1FNT
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BU of 1fnt by Molmil
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:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the activation of 20S proteasomes by 11S regulators.
Nature, 408, 2000
4XS3
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BU of 4xs3 by Molmil
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
4XRX
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BU of 4xrx by Molmil
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
1NMJ
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BU of 1nmj by Molmil
The Solution Structure of Rat Ab-(1-28) and its Interaction with Zinc: Insights into the Scarity of Amyloid Deposition in Aged Rat Brain
Descriptor: amyloid beta-peptide from Alzheimer's disease amyloid A4 protein homolog
Authors:Huang, J, Yao, Y, Tang, W.X.
Deposit date:2003-01-10
Release date:2003-01-28
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of rat Abeta-(1-28) and its interaction with zinc ion: insights into the scarcity of amyloid deposition in aged rat brain
J.Biol.Inorg.Chem., 9, 2004
1I5U
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BU of 1i5u by Molmil
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:2021-11-10
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
5V9U
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BU of 5v9u by Molmil
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:2023-10-04
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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BU of 2n2l by Molmil
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:2023-06-14
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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BU of 2n2m by Molmil
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:2023-06-14
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
1M60
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BU of 1m60 by Molmil
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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