Author results

4FYP
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CRYSTAL STRUCTURE OF PLANT VEGETATIVE STORAGE PROTEIN
Descriptor:Vegetative storage protein 1, MAGNESIUM ION
Authors:Chen, Y., Wei, J., Wang, M., Gong, W., Zhang, M.
Deposit date:2012-07-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of Arabidopsis VSP1 reveals the plant class C-like phosphatase structure of the DDDD superfamily of phosphohydrolases
Plos One, 7, 2012
4V90
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THERMUS THERMOPHILUS RIBOSOME
Descriptor:16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S2, 30S RIBOSOMAL PROTEIN S3, ...
Authors:Chen, Y., Feng, S., Kumar, V., Ero, R., Gao, Y.G.
Deposit date:2014-02-22
Release date:2014-07-09
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of EF-G-ribosome complex in a pretranslocation state.
Nat. Struct. Mol. Biol., 20, 2013
4YPT
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X-RAY STRUCTURAL OF THREE TANDEMLY LINKED DOMAINS OF NSP3 FROM MURINE HEPATITIS VIRUS AT 2.60 ANGSTROMS RESOLUTION
Descriptor:Replicase polyprotein 1ab, ZINC ION, GLYCEROL
Authors:Chen, Y., Savinov, S.N., Mielech, A.M., Cao, T., Baker, S.C., Mesecar, A.D.
Deposit date:2015-03-13
Release date:2015-08-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.6009 Å)
Cite:X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions.
J.Biol.Chem., 290, 2015
4YS0
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CONFORMATIONAL CHANGES OF THE CLAMP OF THE PROTEIN TRANSLOCATION ATPASE SECA FROM THERMOTOGA MARITIMA
Descriptor:Protein translocase subunit SecA, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Chen, Y., Rapoport, T.A.
Deposit date:2015-03-16
Release date:2015-06-03
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Conformational Changes of the Clamp of the Protein Translocation ATPase SecA.
J.Mol.Biol., 427, 2015
4ZMM
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GGDEF DOMAIN OF DCSBIS COMPLEXED WITH C-DI-GMP
Descriptor:diguanylate cyclase, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
Authors:Chen, Y., Liu, C., Liu, S., Chi, K., Gu, L.
Deposit date:2015-05-04
Release date:2016-05-04
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of Dcsbis GGDEF domain complexed with c-di-GMP
To Be Published
4ZMU
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DCSBIS, A DIGUANYLATE CYCLASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:diguanylate cyclase
Authors:Chen, Y., Liu, C., Liu, S., Chi, K., Gu, L.
Deposit date:2015-05-04
Release date:2016-05-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:crystal structure of Dcsbis from Pseudomonas aeruginosa
To Be Published
5E9T
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CRYSTAL STRUCTURE OF GTFA/B COMPLEX
Descriptor:Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, MAGNESIUM ION
Authors:Chen, Y., Rapoport, T.A.
Deposit date:2015-10-15
Release date:2016-03-02
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5E9U
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CRYSTAL STRUCTURE OF GTFA/B COMPLEX BOUND TO UDP AND GLCNAC
Descriptor:Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, URIDINE-5'-DIPHOSPHATE, ...
Authors:Chen, Y., Rapoport, T.A.
Deposit date:2015-10-15
Release date:2016-03-02
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FX8
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COMPLETE STRUCTURE OF MANGANESE LIPOXYGENASE OF GAEUMANNOMYCES GRAMINIS AND PARTIAL STRUCTURE OF ZONADHESIN OF KOMAGATAELLA PASTORIS
Descriptor:LINOLEATE 11-LIPOXYGENASE, ZONADHESIN, MANGANESE (II) ION, ...
Authors:Chen, Y., Wennman, A., Karkehanadi, S., Engstrom, A., Oliw, E.H.
Deposit date:2016-02-25
Release date:2016-06-22
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Linoleate 13R-Manganese Lipoxygenase and an Adhesion Protein
J.Lipid Res., 57, 2016
5VAE
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CRYSTAL STRUCTURE OF ACCESSORY SECRETION PROTEIN 1 AND 3
Descriptor:Accessory Sec system protein Asp1, Accessory Sec system protein Asp3
Authors:Chen, Y., Rapoport, T.A., Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5VAF
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CRYSTAL STRUCTURE OF ACCESSORY SECRETION PROTEIN 1
Descriptor:Accessory Sec system protein Asp1
Authors:Chen, Y., Rapoport, T.A., Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5X8F
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TERNARY COMPLEX STRUCTURE OF A DOUBLE MUTANT I454RA456K OF O-SUCCINYLBENZOATE COA SYNTHETASE (MENE) FROM BACILLUS SUBTILIS BOUND WITH AMP AND ITS PRODUCT ANALOGUE OSB-NCOA AT 1.76 ANGSTROM
Descriptor:2-succinylbenzoate--CoA ligase, o-succinylbenzoyl-N-coenzyme A, ADENOSINE MONOPHOSPHATE, ...
Authors:Chen, Y., Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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BINARY COMPLEX STRUCTURE OF A DOUBLE MUTANT I454RA456K OF O-SUCCINYLBENZOATE COA SYNTHETASE (MENE) FROM BACILLUS SUBTILIS BOUND WITH ITS PRODUCT ANALOGUE OSB-NCOA AT 1.90 ANGSTROM
Descriptor:2-succinylbenzoate--CoA ligase, o-succinylbenzoyl-N-coenzyme A, MAGNESIUM ION, ...
Authors:Chen, Y., Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
6ALJ
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ALDH1A2 LIGANDED WITH NAD AND COMPOUND WIN18,446
Descriptor:Aldehyde dehydrogenase 1A2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
Authors:Chen, Y., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-08-08
Release date:2018-01-10
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AVP
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STAPHYLOCOCCUS AUREUS TYPE II PANTOTHENATE KINASE IN COMPLEX WITH ADP AND PANTOTHENATE ANALOG PHOSPHATE-MEO-N5PAN
Descriptor:Type II pantothenate kinase, ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
Authors:Chen, Y., Antoshchenko, T., Strauss, E., Barnard, L., Huang, Y.H.
Deposit date:2017-09-04
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWG
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STAPHYLOCOCCUS AUREUS TYPE II PANTOTHENATE KINASE IN COMPLEX WITH NUCLEOTIDES AND PANTOTHENATE ANALOG DEOXY-N190PAN
Descriptor:Type II pantothenate kinase, ADENOSINE-5'-TRIPHOSPHATE, (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ...
Authors:Chen, Y., Antoshchenko, T., Strauss, E., Barnard, L., Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWH
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STAPHYLOCOCCUS AUREUS TYPE II PANTOTHENATE KINASE IN COMPLEX WITH ATP AND PANTOTHENATE ANALOG DEOXY-MEO-N5PAN
Descriptor:Type II pantothenate kinase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, Y., Antoshchenko, T., Strauss, E., Barnard, L., Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWI
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STAPHYLOCOCCUS AUREUS TYPE II PANTOTHENATE KINASE IN COMPLEX WITH ADP AND PANTOTHENATE ANALOG DEOXY-N5PAN
Descriptor:Type II pantothenate kinase, ADENOSINE-5'-DIPHOSPHATE, (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
Authors:Chen, Y., Antoshchenko, T., Strauss, E., Barnard, L., Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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STAPHYLOCOCCUS AUREUS TYPE II PANTOTHENATE KINASE IN COMPLEX WITH ADP AND PANTOTHENATE ANALOG DEOXY-MEO-N5PAN WITH PANTOTHENATE PRESENT IN REACTION
Descriptor:Type II pantothenate kinase, ADENOSINE-5'-DIPHOSPHATE, (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
Authors:Chen, Y., Antoshchenko, T., Strauss, E., Barnard, L., Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5G
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ALDH1A2 LIGANDED WITH NAD AND (3-ETHOXYTHIOPHEN-2-YL){4-[4-NITRO-3-(PYRROLIDIN-1-YL)PHENYL]PIPERAZIN-1-YL}METHANONE (COMPOUND 6-118)
Descriptor:Retinal dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
Authors:Chen, Y., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5H
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ALDH1A2 LIGANDED WITH NAD AND 1-(4-CYANOPHENYL)-N-(3-FLUOROPHENYL)-3-[4-(METHYLSULFONYL)PHENYL]-1H-PYRAZOLE-4-CARBOXAMIDE (COMPOUND CM121)
Descriptor:Retinal dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
Authors:Chen, Y., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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ALDH1A2 LIGANDED WITH 1-(4-CYANOPHENYL)-N-(3-FLUOROPHENYL)-3-[4-(METHYLSULFONYL)PHENYL]-1H-PYRAZOLE-4-CARBOXAMIDE (COMPOUND CM121)
Descriptor:Retinal dehydrogenase 2, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
Authors:Chen, Y., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6R80
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STRUCTURE OF AFF4 C-TERMINAL HOMOLOGY DOMAIN
Descriptor:AF4/FMR2 family member 4
Authors:Chen, Y., Cramer, P.
Deposit date:2019-03-30
Release date:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the super-elongation complex subunit AFF4 C-terminal homology domain reveals requirements for AFF homo- and heterodimerization.
J.Biol.Chem., 2019
4U5J
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C-SRC IN COMPLEX WITH RUXOLITINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Authors:Chen, Y., Duan, Y., Chen, L.
Deposit date:2014-07-25
Release date:2014-09-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
6J67
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CRYSTAL STRUCTURE OF THE COMPOUND 34 IN A COMPLEX WITH TRF2
Descriptor:Telomeric repeat-binding factor 2, 3FB-PHE-B8R-LEU-5XU-PRO
Authors:Chen, Y., Yang, Y., Lei, M.
Deposit date:2019-01-14
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018