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PDB: 1682 results

8DD9
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BU of 8dd9 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-17
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
2JWS
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BU of 2jws by Molmil
Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function
Descriptor: Ga88
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2007-10-24
Release date:2008-09-09
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structures of two designed proteins with high sequence identity but different fold and function
Proc.Natl.Acad.Sci.Usa, 105, 2008
5VLE
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BU of 5vle by Molmil
Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2017-04-25
Release date:2017-11-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
8Y22
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BU of 8y22 by Molmil
FGFR1 kinase domain with a covalent inhibitor 9g
Descriptor: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2024-01-25
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
8XZ7
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BU of 8xz7 by Molmil
FGFR1 kinase domain with a covalent inhibitor 10h
Descriptor: 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2024-01-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
5U4J
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BU of 5u4j by Molmil
Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S12, ...
Authors:Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
Deposit date:2016-12-04
Release date:2017-01-11
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
5WFI
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BU of 5wfi by Molmil
X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
Descriptor: FORMIC ACID, GLYCEROL, Ubiquitin, ...
Authors:Mesecar, A.D, Chen, Y.
Deposit date:2017-07-12
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
To Be Published
5TOP
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BU of 5top by Molmil
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 S70G Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, RUTHENIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2016-10-18
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
3QFN
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BU of 3qfn by Molmil
Crystal structure of Streptococcal asymmetric Ap4A hydrolase and phosphodiesterase Spr1479/SapH in complex with inorganic phosphate
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Jiang, Y.L, Zhang, J.W, Yu, W.L, Cheng, W, Zhang, C.C, Zhou, C.Z, Chen, Y.
Deposit date:2011-01-22
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural and enzymatic characterization of a Streptococcal ATP/diadenosine polyphosphate and phosphodiester hydrolase Spr1479/SapH
To be Published
2JWU
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BU of 2jwu by Molmil
Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function
Descriptor: Gb88
Authors:He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J.
Deposit date:2007-10-25
Release date:2008-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structures of two designed proteins with high sequence identity but different fold and function
Proc.Natl.Acad.Sci.Usa, 105, 2008
5UJ4
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BU of 5uj4 by Molmil
Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed faropenem
Descriptor: (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-01-16
Release date:2017-04-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
5UM6
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BU of 5um6 by Molmil
Crystal Structure of S. pombe Uba1 in a closed conformation
Descriptor: 2-(decylamino)ethane-1-thiol, N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine, SULFATE ION, ...
Authors:Lv, Z, Yuan, L, Aldana-Masangkay, G, Atkison, J.H, Chen, Y, Olsen, S.K.
Deposit date:2017-01-26
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Domain alternation and active site remodeling are conserved structural features of ubiquitin E1.
J. Biol. Chem., 292, 2017
4I5W
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BU of 4i5w by Molmil
Crystal structure of yeast Ap4A phosphorylase Apa2 in complex with AMP
Descriptor: 5',5'''-P-1,P-4-tetraphosphate phosphorylase 2, ADENOSINE MONOPHOSPHATE, PHOSPHATE ION
Authors:Jiang, Y.L, Hou, W.T, Chen, Y, Zhou, C.Z.
Deposit date:2012-11-29
Release date:2013-05-08
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Structures of yeast Apa2 reveal catalytic insights into a canonical AP4A phosphorylase of the histidine triad superfamily
J.Mol.Biol., 425, 2013
5WQD
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BU of 5wqd by Molmil
Crystal structure of TRF2 TRFH in complex with an NBS1 peptide
Descriptor: Nibrin, Telomeric repeat-binding factor 2
Authors:Hu, C, Chen, Y, Lei, M.
Deposit date:2016-11-26
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:NBS1 Phosphorylation Status Dictates Repair Choice of Dysfunctional Telomeres
Mol. Cell, 65, 2017
3QFO
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BU of 3qfo by Molmil
Crystal structure of Streptococcal asymmetric Ap4A hydrolase and phosphodiesterase Spr1479/SapH im complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, FE (III) ION, MANGANESE (II) ION, ...
Authors:Jiang, Y.L, Zhang, J.W, Yu, W.L, Cheng, W, Zhang, C.C, Zhou, C.Z, Chen, Y.
Deposit date:2011-01-22
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and enzymatic characterization of a Streptococcal ATP/diadenosine polyphosphate and phosphodiester hydrolase Spr1479/SapH
To be Published
3QFM
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BU of 3qfm by Molmil
Crystal structure of Streptococcal asymmetric Ap4A hydrolase and phosphodiesterase Spr1479/SapH
Descriptor: FE (III) ION, MANGANESE (II) ION, Putative uncharacterized protein
Authors:Jiang, Y.L, Zhang, J.W, Yu, W.L, Cheng, W, Zhang, C.C, Zhou, C.Z, Chen, Y.
Deposit date:2011-01-22
Release date:2011-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and enzymatic characterization of a Streptococcal ATP/diadenosine polyphosphate and phosphodiester hydrolase Spr1479/SapH
To be Published
4N4Y
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BU of 4n4y by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Li, Y, Chen, Y, Stout, C.D.
Deposit date:2013-10-08
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus
To be Published
6LR0
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BU of 6lr0 by Molmil
structure of human bile salt exporter ABCB11
Descriptor: Bile salt export pump
Authors:Wang, L, Hou, W.T, Chen, L, Jiang, Y.L, Xu, D, Sun, L.F, Zhou, C.Z, Chen, Y.
Deposit date:2020-01-15
Release date:2020-04-15
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of human bile salts exporter ABCB11.
Cell Res., 30, 2020
3TEF
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BU of 3tef by Molmil
Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae
Descriptor: Iron(III) ABC transporter, periplasmic iron-compound-binding protein
Authors:Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L.
Deposit date:2011-08-13
Release date:2012-08-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution
Febs Lett., 586, 2012
4PAS
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BU of 4pas by Molmil
Heterodimeric coiled-coil structure of human GABA(B) receptor
Descriptor: Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2
Authors:Burmakina, S, Geng, Y, Chen, Y, Fan, Q.R.
Deposit date:2014-04-10
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Heterodimeric coiled-coil interactions of human GABAB receptor.
Proc.Natl.Acad.Sci.USA, 111, 2014
5H4P
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BU of 5h4p by Molmil
Structural snapshot of cytoplasmic pre-60S ribosomal particles bound with Nmd3, Lsg1, Tif6 and Reh1
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Ma, C, Wu, S, Li, N, Chen, Y, Yan, K, Li, Z, Zheng, L, Lei, J, Woolford, J.L, Gao, N.
Deposit date:2016-11-01
Release date:2017-01-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural snapshot of cytoplasmic pre-60S ribosomal particles bound by Nmd3, Lsg1, Tif6 and Reh1
Nat. Struct. Mol. Biol., 24, 2017
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
Descriptor: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
Authors:Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
Deposit date:2014-05-02
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014
3SF5
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BU of 3sf5 by Molmil
Crystal Structure of Helicobacter pylori Urease Accessory Protein UreF/H complex
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Fong, Y.H, Chen, Y.W, Wong, K.B.
Deposit date:2011-06-12
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Assembly of preactivation complex for urease maturation in Helicobacter pylori: crystal structure of UreF-UreH protein complex
J.Biol.Chem., 286, 2011
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
Descriptor: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
Authors:Deng, X, Li, X, Dong, J, Chen, Y.
Deposit date:2014-04-10
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
2OA5
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BU of 2oa5 by Molmil
Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B.
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2
Authors:Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-14
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68.
J.Biol.Chem., 282, 2007

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