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4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
Descriptor: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
6KMJ
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BU of 6kmj by Molmil
Crystal structure of Sth1 bromodomain in complex with H3K14Ac
Descriptor: GLYCEROL, Histone H3, Nuclear protein STH1/NPS1
Authors:Chen, G, Li, W, Yan, F, Wang, D, Chen, Y.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
6KMB
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BU of 6kmb by Molmil
Crystal structure of Sth1 bromodomain
Descriptor: GLYCEROL, Nuclear protein STH1/NPS1
Authors:Chen, G, Li, W, Yan, F, Wang, D, Chen, Y.
Deposit date:2019-07-31
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
2F9C
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BU of 2f9c by Molmil
Crystal structure of YDCK from Salmonella cholerae. NESG target SCR6
Descriptor: CESIUM ION, Hypothetical protein YDCK
Authors:Benach, J, Chen, Y, Vorobiev, S.M, Seetharaman, J, Janjua, H, Cooper, B, Acton, X.T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-05
Release date:2005-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of YDCK from Salmonella cholerae NESG target SCR6.
To be Published
4GG2
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BU of 4gg2 by Molmil
The crystal structure of glutamate-bound human gamma-glutamyltranspeptidase 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M.
Deposit date:2012-08-04
Release date:2013-09-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme.
J.Biol.Chem., 288, 2013
4DDY
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BU of 4ddy by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 10
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DLH
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BU of 4dlh by Molmil
Crystal Structure of the protein Q9HRE7 from Halobacterium salinarium at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HsR50
Descriptor: uncharacterized protein
Authors:Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-06
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Northeast Structural Genomics Consortium Target HsR50
To be Published
2HZB
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BU of 2hzb by Molmil
X-Ray Crystal Structure of Protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60.
Descriptor: Hypothetical UPF0052 protein BH3568
Authors:Kuzin, A.P, Chen, Y, Seetharaman, J, Benach, J, Shastry, R, Conover, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-08-08
Release date:2006-08-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-Ray structure of the hypothetical UPF0052 protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60.
To be Published
5GOP
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BU of 5gop by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120 complexed with sucrose
Descriptor: Alkaline Invertase, beta-D-fructofuranose, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
Deposit date:2016-07-28
Release date:2016-11-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
J. Biol. Chem., 291, 2016
3J98
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BU of 3j98 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State IIIa)
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
6MD8
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BU of 6md8 by Molmil
Crystal structure of CTX-M-14 with compound 3
Descriptor: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-04
Release date:2019-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
3J5R
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BU of 3j5r by Molmil
Reconstruction of TRPV1 ion channel in complex with capsaicin by single particle cryo-microscopy
Descriptor: Transient receptor potential cation channel subfamily V member 1
Authors:Liao, M, Cao, E, Julius, D, Cheng, Y.
Deposit date:2013-10-28
Release date:2013-12-04
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:TRPV1 structures in distinct conformations reveal activation mechanisms.
Nature, 504, 2013
6MEY
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BU of 6mey by Molmil
Crystal structure of KPC-2 with compound 9
Descriptor: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-07
Release date:2019-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
5GVV
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BU of 5gvv by Molmil
Crystal structure of the glycosyltransferase GlyE in Streptococcus pneumoniae TIGR4
Descriptor: Glycosyl transferase family 8, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Jiang, Y.L, Jin, H, Zhao, R.L, Yang, H.B, Chen, Y, Zhou, C.Z.
Deposit date:2016-09-07
Release date:2017-03-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defining the enzymatic pathway for polymorphic O-glycosylation of the pneumococcal serine-rich repeat protein PsrP.
J. Biol. Chem., 292, 2017
3J97
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BU of 3j97 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State II)
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
6M7I
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BU of 6m7i by Molmil
Crystal structure of KPC-2 with compound 3
Descriptor: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-08-20
Release date:2019-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
5GOQ
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BU of 5goq by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120 complexed with glucose
Descriptor: Alkaline Invertase, alpha-D-glucopyranose
Authors:Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
Deposit date:2016-07-28
Release date:2016-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
J. Biol. Chem., 291, 2016
5GOO
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BU of 5goo by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120 complexed with fructose
Descriptor: Alkaline Invertase, GLYCEROL, beta-D-fructofuranose
Authors:Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
Deposit date:2016-07-28
Release date:2016-11-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase.
J. Biol. Chem., 291, 2016
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
5GVW
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BU of 5gvw by Molmil
Crystal structure of the apo-form glycosyltransferase GlyE in Streptococcus pneumoniae TIGR4
Descriptor: Glycosyl transferase family 8, MANGANESE (II) ION
Authors:Jiang, Y.L, Jin, H, Zhao, R.L, Yang, H.B, Chen, Y, Zhou, C.Z.
Deposit date:2016-09-07
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Defining the enzymatic pathway for polymorphic O-glycosylation of the pneumococcal serine-rich repeat protein PsrP.
J. Biol. Chem., 292, 2017
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MLL
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BU of 6mll by Molmil
Crystal structure of KPC-2 with compound 7
Descriptor: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-27
Release date:2019-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MZ2
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BU of 6mz2 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-11-03
Release date:2019-11-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MNP
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BU of 6mnp by Molmil
Crystal structure of KPC-2 with compound 6
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-10-02
Release date:2019-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7VBH
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BU of 7vbh by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-31
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022

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