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4MWL
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BU of 4mwl by Molmil
Shanghai N9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MX0
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BU of 4mx0 by Molmil
Shanghai N9-peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWU
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BU of 4mwu by Molmil
Anhui N9-laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWV
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BU of 4mwv by Molmil
Anhui N9-peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWY
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BU of 4mwy by Molmil
Shanghai N9-laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4NHG
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BU of 4nhg by Molmil
Crystal Structure of 2G12 IgG Dimer
Descriptor: 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein
Authors:Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J.
Deposit date:2013-11-05
Release date:2014-02-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (8.001 Å)
Cite:Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12.
Cell Rep, 5, 2013
4NHH
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BU of 4nhh by Molmil
Structure of 2G12 IgG Dimer
Descriptor: 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein
Authors:Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J.
Deposit date:2013-11-05
Release date:2014-02-26
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12.
Cell Rep, 5, 2013
5V8W
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BU of 5v8w by Molmil
Crystal structure of human Integrator IntS9-IntS11 CTD complex
Descriptor: Integrator complex subunit 11, Integrator complex subunit 9
Authors:Wu, Y, Tong, L.
Deposit date:2017-03-22
Release date:2017-04-12
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the interaction between Integrator subunits IntS9 and IntS11 and its functional importance.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7V51
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BU of 7v51 by Molmil
BVMO_negative mutant D432V
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.-L.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V4X
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BU of 7v4x by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-15
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V50
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BU of 7v50 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7VHR
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BU of 7vhr by Molmil
Apostichopus japonicus ferritin
Descriptor: Ferritin, MAGNESIUM ION
Authors:Wu, Y, Su, X.R, Ming, T.H.
Deposit date:2021-09-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.756 Å)
Cite:Crystallographic characterization of a marine invertebrate ferritin from the sea cucumber Apostichopus japonicus.
Febs Open Bio, 12, 2022
6LUP
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BU of 6lup by Molmil
Crystal structure of shark MHC CLASS I for 2.3 angstrom
Descriptor: Beta-2-microglobulin, MHC class I protein, PHE-ALA-ASN-PHE-PHE-ILE-ARG-GLY-LEU
Authors:Wu, Y, Xia, C.
Deposit date:2020-01-30
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:The Structure of a Peptide-Loaded Shark MHC Class I Molecule Reveals Features of the Binding between beta 2 -Microglobulin and H Chain Conserved in Evolution.
J Immunol., 2021
7F0I
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BU of 7f0i by Molmil
phosphodiesterase-9A in complex with inhibitor 4b
Descriptor: 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y, Huang, Y.Y, Luo, H.B.
Deposit date:2021-06-04
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.70000887 Å)
Cite:Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
7Y74
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BU of 7y74 by Molmil
Apostichopus japonicus ferritin mutant-D129A/E132A
Descriptor: CADMIUM ION, FE (III) ION, Ferritin
Authors:Wu, Y, Ming, T.H, Su, X.R.
Deposit date:2022-06-21
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Apostichopus japonicus ferritin mutant-D129A/E132A
To Be Published
4RZV
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BU of 4rzv by Molmil
Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib
Descriptor: N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2014-12-24
Release date:2016-08-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
4RZW
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BU of 4rzw by Molmil
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
Descriptor: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2014-12-24
Release date:2016-08-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
8BOB
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BU of 8bob by Molmil
Structural basis for negative regulation of the maltose system
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HTH-type transcriptional regulator MalT, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Chai, J, Wu, Y.
Deposit date:2022-11-15
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for negative regulation of the Escherichia coli maltose system.
Nat Commun, 14, 2023
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
Descriptor: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2016-03-16
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
2FPL
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BU of 2fpl by Molmil
RadA recombinase in complex with AMP-PNP and low concentration of K+
Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y.
Deposit date:2006-01-16
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Methanococcus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change
Biochemistry, 44, 2005
2FPK
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BU of 2fpk by Molmil
RadA recombinase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair and recombination protein radA, MAGNESIUM ION, ...
Authors:Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y.
Deposit date:2006-01-16
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Methanococcus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change
Biochemistry, 44, 2005
2FPM
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BU of 2fpm by Molmil
RadA recombinase in complex with AMP-PNP and high concentration of K+
Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y.
Deposit date:2006-01-16
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Methanoccocus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change
Biochemistry, 44, 2005
5JQ9
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BU of 5jq9 by Molmil
Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16
Descriptor: 1,2-ETHANEDIOL, 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
Authors:Wu, Y, White, S.W.
Deposit date:2016-05-04
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Bioorg.Med.Chem.Lett., 26, 2016
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
Authors:Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
5HYZ
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BU of 5hyz by Molmil
Crystal Structure of SCL7 in Oryza sativa
Descriptor: GRAS family transcription factor containing protein, expressed
Authors:Wu, Y, Li, S, Zhao, Y, Sun, L.
Deposit date:2016-02-02
Release date:2016-04-27
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Crystal Structure of the GRAS Domain of SCARECROW-LIKE7 in Oryza sativa.
Plant Cell, 28, 2016

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