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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6LI6
| Crystal structure of MCR-1-S treated by Au(PEt3)Cl | Descriptor: | GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE | Authors: | Zhang, Q, Wang, M, Sun, H. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
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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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2W3X
| Crystal structure of a bifunctional hotdog fold thioesterase in enediyne biosynthesis, CalE7 | Descriptor: | CALE7, GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), ... | Authors: | Kotaka, M, Kong, R, Qureshi, I, Ho, Q.S, Sun, H, Liew, C.W, Goh, L.P, Cheung, P, Mu, Y, Lescar, J, Liang, Z.X. | Deposit date: | 2008-11-17 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Catalytic Mechanism of the Thioesterase Cale7 in Enediyne Biosynthesis. J.Biol.Chem., 284, 2009
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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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9IUL
| The structure of Candida albicans Cdr1 in fluconazole-bound state | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1 | Authors: | Peng, Y, Sun, H, Yan, Z.F. | Deposit date: | 2024-07-23 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms. Nat Commun, 15, 2024
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9IUK
| The structure of Candida albicans Cdr1 in apo state | Descriptor: | Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1 | Authors: | Peng, Y, Sun, H, Yan, Z.F. | Deposit date: | 2024-07-22 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms. Nat Commun, 15, 2024
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9IUM
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1QHI
| HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | Descriptor: | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | Authors: | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | Deposit date: | 1999-05-12 | Release date: | 1999-07-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999
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6KV9
| MoeE5 in complex with UDP-glucuronic acid and NAD | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2019-09-03 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate. Biochem.Biophys.Res.Commun., 521, 2020
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8HF8
| Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | Descriptor: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
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6KVC
| MoeE5 in complex with UDP-glucose and NAD | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2019-09-04 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate. Biochem.Biophys.Res.Commun., 521, 2020
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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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6LRL
| Human cGAS catalytic domain bound with compound s2 | Descriptor: | 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic 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 (2.655 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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6LRK
| Human cGAS catalytic domain bound with compound 40 | Descriptor: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic 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 (2.25 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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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: | 2024-10-30 | 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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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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6LRI
| Human cGAS catalytic domain bound with compound 17 | Descriptor: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic 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 (2.5 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: | 2024-10-23 | 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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6LRE
| Human cGAS catalytic domain bound with compound 3 | Descriptor: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic 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 (2.65 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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4FZX
| Exonuclease X in complex with 3' overhanging duplex DNA | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ... | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | Deposit date: | 2012-07-08 | Release date: | 2013-07-03 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.3 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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4FZY
| Exonuclease X in complex with 12bp blunt-ended dsDNA | Descriptor: | DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-3'), Exodeoxyribonuclease 10, ... | 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 (2.5 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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8GTD
| Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | Descriptor: | Head-to-tail joining protein, Portal protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTB
| Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | Descriptor: | Major tail protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTC
| Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | Descriptor: | Distal tail protein, Hub protein, Major tail protein, ... | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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