6LRJ
 
 | | Human cGAS catalytic domain bound with compound 23 | | Descriptor: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LSA
 | | Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ... | | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
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6M1K
 | | USP7 in complex with a novel inhibitor | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate | | Authors: | Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
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4FZZ
 | | Exonuclease X in complex with 5' overhanging duplex DNA | | Descriptor: | DNA (5'-D(*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, SODIUM ION | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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6LS9
 | | Crystal structure of bovine herpesvirus 1 glycoprotein D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D | | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
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6IO4
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4TQJ
 | | Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | | Descriptor: | Lectin 2 | | Authors: | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin.
Plos One, 10, 2015
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6IO6
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3S49
 | | RNA crystal structure with 2-Se-uridine modification | | Descriptor: | POTASSIUM ION, RNA (5'-R(*GP*UP*AP*UP*AP*(RUS)P*AP*C)-3') | | Authors: | Sheng, J, Gan, J, Sun, H, Hassan, A.E.H, Jiang, S, Huang, Z. | | Deposit date: | 2011-05-19 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Higher Specificity of RNA Base Pairing with 2-Selenouridine
To be Published
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4H0W
 | | Bismuth bound human serum transferrin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bismuth(III) ION, CARBONATE ION, ... | | Authors: | Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H. | | Deposit date: | 2012-09-10 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe.
Sci Rep, 2, 2012
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6IOJ
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4N6F
 | | Crystal structure of Amycolatopsis orientalis BexX complexed with G6P | | Descriptor: | CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase | | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | | Deposit date: | 2013-10-11 | | Release date: | 2014-05-14 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
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6LHE
 | | Crystal Structure of Gold-bound NDM-1 | | Descriptor: | GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION | | Authors: | Wang, H, Sun, H, Wang, M. | | Deposit date: | 2019-12-07 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.206 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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3QYT
 | | Diferric bound human serum transferrin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H. | | Deposit date: | 2011-03-03 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe
Sci Rep, 2, 2012
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6KA0
 | | Silver-bound E.coli Malate dehydrogenase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Malate dehydrogenase, SILVER ION | | Authors: | Wang, H, Wang, M, Sun, H. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | MDH is a major silver target in E. coli
To Be Published
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4N6E
 | | Crystal structure of Amycolatopsis orientalis BexX/CysO complex | | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | | Deposit date: | 2013-10-11 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
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6KA1
 | | E.coli Malate dehydrogenase | | Descriptor: | Malate dehydrogenase | | Authors: | Wang, H, Wang, M, Sun, H. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | MDH is a major silver target in E. coli
To Be Published
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2F5H
 | | Solution structure of the alpha-domain of human Metallothionein-3 | | Descriptor: | CADMIUM ION, Metallothionein-3 | | Authors: | Wang, H, Zhang, Q, Cai, B, Li, H.Y, Sze, K.H, Huang, Z.X, Wu, H.M, Sun, H.Z. | | Deposit date: | 2005-11-25 | | Release date: | 2006-05-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of human metallothionein-3 (MT-3)
Febs Lett., 580, 2006
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6LI4
 | | Crystal structure of MCR-1-S | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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6LI5
 | | Crystal structure of apo-MCR-1-S | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1 | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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7W0G
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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6JAS
 | | Human serum transferrin with iron citrate bound | | Descriptor: | CITRIC ACID, FE (III) ION, MALONATE ION, ... | | Authors: | Wang, M, Wang, H, Sun, H. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Binding of ruthenium and osmium at non-iron sites of transferrin explains their iron-independent cellular uptake
To Be Published
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5XP6
 | | native structure of NDM-1 crystallized at pH5.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | | Deposit date: | 2017-06-01 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
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5Z3W
 | | Malate dehydrogenase binds silver at C113 | | Descriptor: | Malate dehydrogenase, SILVER ION | | Authors: | Wang, H, Wang, M, Sun, H. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm
Chem Sci, 2020
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5XP9
 | | Crystal structure of Bismuth bound NDM-1 | | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | | Deposit date: | 2017-06-01 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
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