6IY2
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![BU of 6iy2 by Molmil](/molmil-images/mine/6iy2) | Structure of Snf2-MMTV-A nucleosome complex at shl2 in ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (147-MER), DNA (167-MER), ... | Authors: | Li, M, Xia, X, Liu, X, Li, X, Chen, Z. | Deposit date: | 2018-12-12 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Mechanism of DNA translocation underlying chromatin remodelling by Snf2. Nature, 567, 2019
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8ACL
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![BU of 8acl by Molmil](/molmil-images/mine/8acl) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | Deposit date: | 2022-07-05 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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8ACD
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![BU of 8acd by Molmil](/molmil-images/mine/8acd) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | Descriptor: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | Deposit date: | 2022-07-05 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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5YK9
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![BU of 5yk9 by Molmil](/molmil-images/mine/5yk9) | |
5ZMY
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![BU of 5zmy by Molmil](/molmil-images/mine/5zmy) | Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids | Descriptor: | Cis-epoxysuccinate hydrolase, D(-)-TARTARIC ACID, ZINC ION | Authors: | Dong, S, Liu, X, Wang, X, Feng, Y. | Deposit date: | 2018-04-06 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid. Chem. Commun. (Camb.), 54, 2018
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5ZCJ
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![BU of 5zcj by Molmil](/molmil-images/mine/5zcj) | Crystal structure of complex | Descriptor: | TP53-binding protein 1, Tudor-interacting repair regulator protein | Authors: | Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X. | Deposit date: | 2018-02-17 | Release date: | 2018-06-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Crystal structure of complex To Be Published
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5ZMU
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![BU of 5zmu by Molmil](/molmil-images/mine/5zmu) | Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids | Descriptor: | Cis-epoxysuccinate hydrolase, ZINC ION | Authors: | Dong, S, Liu, X, Wang, X, Feng, Y. | Deposit date: | 2018-04-06 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid. Chem. Commun. (Camb.), 54, 2018
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5WF7
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![BU of 5wf7 by Molmil](/molmil-images/mine/5wf7) | Chaetomium thermophilum Polycomb Repressive Complex 2 bound to GSK126 | Descriptor: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2017-07-11 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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5WFD
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![BU of 5wfd by Molmil](/molmil-images/mine/5wfd) | Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126 | Descriptor: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2017-07-11 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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5WH1
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![BU of 5wh1 by Molmil](/molmil-images/mine/5wh1) | |
5WFC
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![BU of 5wfc by Molmil](/molmil-images/mine/5wfc) | |
5WAI
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![BU of 5wai by Molmil](/molmil-images/mine/5wai) | Crystal Structure of a Suz12-Rbbp4-Jarid2-Aebp2 Heterotetrameric Complex | Descriptor: | Histone-binding protein RBBP4, Jumonji, AT-rich interactive domain 2, ... | Authors: | Chen, S, Jiao, L, Liu, X. | Deposit date: | 2017-06-26 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding. Mol. Cell, 69, 2018
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5WG6
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![BU of 5wg6 by Molmil](/molmil-images/mine/5wg6) | Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor | Descriptor: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2017-07-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.901 Å) | Cite: | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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5ZQY
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![BU of 5zqy by Molmil](/molmil-images/mine/5zqy) | Crystal structure of a poly(ADP-ribose) glycohydrolase | Descriptor: | MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X. | Deposit date: | 2018-04-20 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.577 Å) | Cite: | Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation. J. Biol. Chem., 293, 2018
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7XRP
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![BU of 7xrp by Molmil](/molmil-images/mine/7xrp) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1 | Authors: | Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-05-11 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode. J Nanobiotechnology, 20, 2022
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6JBZ
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![BU of 6jbz by Molmil](/molmil-images/mine/6jbz) | |
8HD8
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![BU of 8hd8 by Molmil](/molmil-images/mine/8hd8) | Crystal structure of TMPRSS2 in complex with 212-148 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-11-03 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8IOD
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![BU of 8iod by Molmil](/molmil-images/mine/8iod) | Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8INR
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![BU of 8inr by Molmil](/molmil-images/mine/8inr) | Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8IOC
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![BU of 8ioc by Molmil](/molmil-images/mine/8ioc) | Cryo-EM structure of the gamma-MSH-bound human melanocortin receptor 3 (MC3R)-Gs complex | Descriptor: | CALCIUM ION, 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,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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6A9Y
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![BU of 6a9y by Molmil](/molmil-images/mine/6a9y) | The crystal structure of Mu homology domain of SGIP1 | Descriptor: | SH3-containing GRB2-like protein 3-interacting protein 1 | Authors: | Feng, Y, Liu, X. | Deposit date: | 2018-07-16 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SGIP1 dimerizes via intermolecular disulfide bond in mu HD domain during cellular endocytosis. Biochem. Biophys. Res. Commun., 505, 2018
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8HCZ
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![BU of 8hcz by Molmil](/molmil-images/mine/8hcz) | |
8HDF
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![BU of 8hdf by Molmil](/molmil-images/mine/8hdf) | Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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8HD4
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![BU of 8hd4 by Molmil](/molmil-images/mine/8hd4) | Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16 | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-03 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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8HOM
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![BU of 8hom by Molmil](/molmil-images/mine/8hom) | Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Lin, M, Liu, X. | Deposit date: | 2022-12-10 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir To Be Published
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