6KGV
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![BU of 6kgv by Molmil](/molmil-images/mine/6kgv) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with amoxicillin | Descriptor: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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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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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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6KGH
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![BU of 6kgh by Molmil](/molmil-images/mine/6kgh) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form) | Descriptor: | COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-11 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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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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6KGS
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![BU of 6kgs by Molmil](/molmil-images/mine/6kgs) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGW
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![BU of 6kgw by Molmil](/molmil-images/mine/6kgw) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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5X62
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![BU of 5x62 by Molmil](/molmil-images/mine/5x62) | |
8INQ
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![BU of 8inq by Molmil](/molmil-images/mine/8inq) | |
8INT
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![BU of 8int by Molmil](/molmil-images/mine/8int) | |
8INW
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8INY
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![BU of 8iny by Molmil](/molmil-images/mine/8iny) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir | Descriptor: | 3C-like proteinase, 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: | 2023-03-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir To Be Published
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8INU
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8INX
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![BU of 8inx by Molmil](/molmil-images/mine/8inx) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir | Descriptor: | 3C-like proteinase, 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: | 2023-03-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir To Be Published
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8JWE
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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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6A9W
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![BU of 6a9w by Molmil](/molmil-images/mine/6a9w) | Structure of the bifunctional DNA primase-polymerase from phage NrS-1 | Descriptor: | Primase | Authors: | Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H. | Deposit date: | 2018-07-16 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1. Biochem. Biophys. Res. Commun., 510, 2019
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5Y3U
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![BU of 5y3u by Molmil](/molmil-images/mine/5y3u) | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) | Descriptor: | PSTD-22AA-PolySia | Authors: | Liao, S.M, Liu, X.H, Lu, B, Peng, L.X, Chen, D, Huang, R.B, Zhou, G.P. | Deposit date: | 2017-07-31 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) To Be Published
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7X4B
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![BU of 7x4b by Molmil](/molmil-images/mine/7x4b) | Crystal Structure of An Anti-CRISPR Protein | Descriptor: | Anti-CRISPR protein (AcrIIC1), SULFATE ION | Authors: | Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1. Nat Commun, 13, 2022
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7VP8
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![BU of 7vp8 by Molmil](/molmil-images/mine/7vp8) | Crystal structure of ferritin from Ureaplasma urealyticum | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein | Authors: | Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H. | Deposit date: | 2021-10-15 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Distinct structural characteristics define a new subfamily of Mycoplasma ferritin Chin.Chem.Lett., 33, 2022
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6IJZ
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![BU of 6ijz by Molmil](/molmil-images/mine/6ijz) | Structure of a plant cation channel | Descriptor: | Calcium permeable stress-gated cation channel 1 | Authors: | Sun, L, Wang, J, Liu, X. | Deposit date: | 2018-10-12 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Structure of the hyperosmolality-gated calcium-permeable channel OSCA1.2. Nat Commun, 9, 2018
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3NYL
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![BU of 3nyl by Molmil](/molmil-images/mine/3nyl) | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain | Descriptor: | Amyloid beta (A4) protein (Peptidase nexin-II, Alzheimer disease), isoform CRA_b | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X, Wang, Y. | Deposit date: | 2010-07-15 | Release date: | 2011-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain. Mol.Cell, 15, 2004
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6K51
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6K50
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![BU of 6k50 by Molmil](/molmil-images/mine/6k50) | |