5YQN
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![BU of 5yqn by Molmil](/molmil-images/mine/5yqn) | Crystal structure of Sirt2 in complex with selective inhibitor L55 | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQO
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![BU of 5yqo by Molmil](/molmil-images/mine/5yqo) | Crystal structure of Sirt2 in complex with selective inhibitor L5C | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQL
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![BU of 5yql by Molmil](/molmil-images/mine/5yql) | Crystal structure of Sirt2 in complex with selective inhibitor A2I | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQM
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![BU of 5yqm by Molmil](/molmil-images/mine/5yqm) | Crystal structure of Sirt2 in complex with selective inhibitor A29 | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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8GZZ
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![BU of 8gzz by Molmil](/molmil-images/mine/8gzz) | Local refinement of SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab | Descriptor: | Spike protein S1, rabbit monoclonal antibody 1H1 Fab heavy chain, rabbit monoclonal antibody 1H1 Fab light chain | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
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8H01
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![BU of 8h01 by Molmil](/molmil-images/mine/8h01) | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
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8H00
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![BU of 8h00 by Molmil](/molmil-images/mine/8h00) | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
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8HEC
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![BU of 8hec by Molmil](/molmil-images/mine/8hec) | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8HED
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![BU of 8hed by Molmil](/molmil-images/mine/8hed) | Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8HEB
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![BU of 8heb by Molmil](/molmil-images/mine/8heb) | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8H0F
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![BU of 8h0f by Molmil](/molmil-images/mine/8h0f) | Crystal structure of collagen heterotrimer with KD,ER and KE axial pairs | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | Authors: | Fan, S. | Deposit date: | 2022-09-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities. Biophys.J., 122, 2023
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8H0E
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![BU of 8h0e by Molmil](/molmil-images/mine/8h0e) | Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | Authors: | Fan, S. | Deposit date: | 2022-09-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities. Biophys.J., 122, 2023
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1D1Z
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![BU of 1d1z by Molmil](/molmil-images/mine/1d1z) | CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP | Descriptor: | SAP SH2 DOMAIN, SULFATE ION | Authors: | Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J. | Deposit date: | 1999-09-22 | Release date: | 1999-10-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition. Mol.Cell, 4, 1999
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5UTT
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![BU of 5utt by Molmil](/molmil-images/mine/5utt) | SrtA sortase from Actinomyces oris | Descriptor: | CHLORIDE ION, Sortase | Authors: | Osipiuk, J, Ma, X, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-15 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cell-to-cell interaction requires optimal positioning of a pilus tip adhesin modulated by gram-positive transpeptidase enzymes. Proc.Natl.Acad.Sci.USA, 116, 2019
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5XLT
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![BU of 5xlt by Molmil](/molmil-images/mine/5xlt) | The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-05-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
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1D0O
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![BU of 1d0o by Molmil](/molmil-images/mine/1d0o) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B PRESENT) | Descriptor: | 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-13 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry, 40, 2001
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7DVP
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![BU of 7dvp by Molmil](/molmil-images/mine/7dvp) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-14 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
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![BU of 7dw0 by Molmil](/molmil-images/mine/7dw0) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
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![BU of 7dw6 by Molmil](/molmil-images/mine/7dw6) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
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![BU of 7dvy by Molmil](/molmil-images/mine/7dvy) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
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![BU of 7dvx by Molmil](/molmil-images/mine/7dvx) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVW
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![BU of 7dvw by Molmil](/molmil-images/mine/7dvw) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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1D4W
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![BU of 1d4w by Molmil](/molmil-images/mine/1d4w) | CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH SLAM PHOSPHOPEPTIDE | Descriptor: | SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP | Authors: | Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J. | Deposit date: | 1999-10-06 | Release date: | 1999-10-14 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition. Mol.Cell, 4, 1999
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1D0C
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![BU of 1d0c by Molmil](/molmil-images/mine/1d0c) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE) | Descriptor: | 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-09 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry, 40, 2001
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6J8R
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![BU of 6j8r by Molmil](/molmil-images/mine/6j8r) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.575 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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