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3KKJ
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BU of 3kkj by Molmil
X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10
Descriptor: Amine oxidase, flavin-containing, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuzin, A.P, Chen, Y, Forouhar, F, Vorobiev, S, Acton, T, Ma, L.C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-05
Release date:2009-11-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10
To be Published
6D1B
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BU of 6d1b by Molmil
Crystal structure of NDM-1 complexed with compound 2
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1H
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BU of 6d1h by Molmil
Crystal structure of NDM-1 complexed with compound 11
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D15
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BU of 6d15 by Molmil
Crystal structure of KPC-2 complexed with compound 1
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1F
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BU of 6d1f by Molmil
Crystal structure of NDM-1 complexed with compound 8
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
5YI6
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BU of 5yi6 by Molmil
CRISPR associated protein Cas6
Descriptor: CRISPR-associated endoribonuclease Cas6 1, GLYCEROL, PHOSPHATE ION
Authors:Ko, T.P, Hsieh, T.J, Chen, Y.
Deposit date:2017-10-03
Release date:2018-09-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Expression, Purification, Crystallization, and X-ray Structural Analysis of CRISPR-Associated Protein Cas6 from Methanocaldococcus jannaschii
Crystals, 7, 2018
6D16
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BU of 6d16 by Molmil
Crystal structure of KPC-2 complexed with compound 2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1E
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BU of 6d1e by Molmil
Crystal structure of NDM-1 complexed with compound 7
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1K
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BU of 6d1k by Molmil
Crystal structure of NDM-1 complexed with compound 14
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
8U4Y
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BU of 8u4y by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L50F Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
Deposit date:2023-09-11
Release date:2024-10-09
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Distal protein-protein interactions contribute to nirmatrelvir resistance.
Nat Commun, 16, 2025
8U25
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BU of 8u25 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L50F/E166A/L167F Triple Mutant
Descriptor: 3C-like proteinase
Authors:Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
Deposit date:2023-09-05
Release date:2024-11-06
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Distal protein-protein interactions contribute to nirmatrelvir resistance.
Nat Commun, 16, 2025
8TYK
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BU of 8tyk by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T21I Mutant
Descriptor: 3C-like proteinase
Authors:Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
Deposit date:2023-08-25
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T21I Mutant
To Be Published
6CSV
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BU of 6csv by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
Descriptor: Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa
Authors:Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
Deposit date:2018-03-21
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
3KO6
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BU of 3ko6 by Molmil
Crystal structure of yeast free methionine-R-sulfoxide reductase Ykg9 in complex with the substrate
Descriptor: METHIONINE SULFOXIDE, UPF0067 GAF domain-containing protein YKL069W
Authors:Ma, X.-X, Guo, P.-C, Chen, Y, Zhou, C.-Z.
Deposit date:2009-11-13
Release date:2010-11-17
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of yeast free methionine-R-sulfoxide reductase Ykg9 in complex with the substrate
To be Published
6D1C
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BU of 6d1c by Molmil
Crystal structure of NDM-1 complexed with compound 3
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1G
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BU of 6d1g by Molmil
Crystal structure of NDM-1 complexed with compound 9
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1J
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BU of 6d1j by Molmil
Crystal structure of NDM-1 complexed with compound 13
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
Descriptor: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
Authors:Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
Deposit date:2018-03-21
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
6D17
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BU of 6d17 by Molmil
Crystal structure of KPC-2 complexed with compound 3
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
7WF5
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BU of 7wf5 by Molmil
c-Src in complex with ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src
Authors:Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y.
Deposit date:2021-12-26
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
6D18
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BU of 6d18 by Molmil
Crystal structure of KPC-2 complexed with compound 6
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6J07
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BU of 6j07 by Molmil
Crystal structure of human TERB2 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION
Authors:Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
3L4N
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BU of 3l4n by Molmil
Crystal structure of yeast monothiol glutaredoxin Grx6
Descriptor: GLUTATHIONE, Monothiol glutaredoxin-6
Authors:Luo, M, Jiang, Y.-L, Ma, X.-X, He, Y.-X, Tang, Y.-J, Yu, J, Zhang, R.-G, Chen, Y, Zhou, C.-Z.
Deposit date:2009-12-21
Release date:2010-04-07
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical characterization of yeast monothiol glutaredoxin Grx6
J.Mol.Biol., 398, 2010
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
Descriptor: Beta-lactamase
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
3LD7
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BU of 3ld7 by Molmil
Crystal structure of the Lin0431 protein from Listeria innocua, Northeast Structural Genomics Consortium Target LkR112
Descriptor: Lin0431 protein
Authors:Vorobiev, S, Chen, Y, Lee, D, Patel, D.J, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-12
Release date:2010-01-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Crystal structure of the Lin0431 protein from Listeria innocua
To be Published

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數據於2025-07-09公開中

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