4GQU
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![BU of 4gqu by Molmil](/molmil-images/mine/4gqu) | Crystal structure of HisB from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | Authors: | Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. | Deposit date: | 2012-08-24 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structures of the native, substrate-
bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase Acta Crystallogr.,Sect.D, 2013
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4GR9
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![BU of 4gr9 by Molmil](/molmil-images/mine/4gr9) | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-24 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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7TIA
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![BU of 7tia by Molmil](/molmil-images/mine/7tia) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIX
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![BU of 7tix by Molmil](/molmil-images/mine/7tix) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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5WZN
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![BU of 5wzn by Molmil](/molmil-images/mine/5wzn) | Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - GalNAc complex | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Alpha-N-acetylgalactosaminidase, CALCIUM ION, ... | Authors: | Sato, M, Arakawa, T, Ashida, H, Fushinobu, S. | Deposit date: | 2017-01-18 | Release date: | 2017-06-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors J. Biol. Chem., 292, 2017
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1BVN
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![BU of 1bvn by Molmil](/molmil-images/mine/1bvn) | PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ... | Authors: | Machius, M, Wiegand, G, Epp, O, Huber, R. | Deposit date: | 1998-09-16 | Release date: | 1998-09-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of porcine pancreatic alpha-amylase in complex with the microbial inhibitor Tendamistat. J.Mol.Biol., 247, 1995
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5DC8
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![BU of 5dc8 by Molmil](/molmil-images/mine/5dc8) | Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | Deposit date: | 2015-08-23 | Release date: | 2016-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
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5DDY
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![BU of 5ddy by Molmil](/molmil-images/mine/5ddy) | Binary complex of human Polymerase lambda with dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA polymerase lambda, MAGNESIUM ION, ... | Authors: | Liu, M.S, Tsai, M.D. | Deposit date: | 2015-08-25 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda J.Am.Chem.Soc., 138, 2016
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4XNL
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![BU of 4xnl by Molmil](/molmil-images/mine/4xnl) | X-ray structure of AlgE2 | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-15 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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1BYC
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![BU of 1byc by Molmil](/molmil-images/mine/1byc) | CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS | Descriptor: | BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C. | Deposit date: | 1994-01-25 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis. Biochemistry, 33, 1994
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6XHY
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![BU of 6xhy by Molmil](/molmil-images/mine/6xhy) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with telithromycin, mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.60A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S. | Deposit date: | 2020-06-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance. Nat.Chem.Biol., 17, 2021
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4X9K
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![BU of 4x9k by Molmil](/molmil-images/mine/4x9k) | Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, GLYCEROL, MALONATE ION, ... | Authors: | Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Chordia, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae to be published
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4XBV
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![BU of 4xbv by Molmil](/molmil-images/mine/4xbv) | |
6XHV
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![BU of 6xhv by Molmil](/molmil-images/mine/6xhv) | Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.40A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S. | Deposit date: | 2020-06-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance. Nat.Chem.Biol., 17, 2021
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6N5W
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![BU of 6n5w by Molmil](/molmil-images/mine/6n5w) | |
6MR1
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![BU of 6mr1 by Molmil](/molmil-images/mine/6mr1) | RbcS-like subdomain of CcmM | Descriptor: | CHLORIDE ION, COBALT (II) ION, Carbon dioxide concentrating mechanism protein, ... | Authors: | Ryan, P, Kimber, M.S. | Deposit date: | 2018-10-11 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The small RbcS-like domains of the beta-carboxysome structural protein CcmM bind RubisCO at a site distinct from that binding the RbcS subunit. J. Biol. Chem., 294, 2019
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7A1B
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![BU of 7a1b by Molmil](/molmil-images/mine/7a1b) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-12 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.287 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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7XJO
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![BU of 7xjo by Molmil](/molmil-images/mine/7xjo) | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | Deposit date: | 2022-04-18 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J.Med.Chem., 65, 2022
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7XGJ
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![BU of 7xgj by Molmil](/molmil-images/mine/7xgj) | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | Descriptor: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | Deposit date: | 2022-04-05 | Release date: | 2022-06-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J.Med.Chem., 65, 2022
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6ZN5
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![BU of 6zn5 by Molmil](/molmil-images/mine/6zn5) | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2 | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-06 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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6NCI
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![BU of 6nci by Molmil](/molmil-images/mine/6nci) | Crystal structure of CDP-Chase: Vector data collection | Descriptor: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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4Y0Q
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![BU of 4y0q by Molmil](/molmil-images/mine/4y0q) | Bovine beta-lactoglobulin complex with pramocaine crystallized from sodium citrate (BLG-PRM1) | Descriptor: | Beta-lactoglobulin, Pramocaine | Authors: | Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K. | Deposit date: | 2015-02-06 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies. Int.J.Biol.Macromol., 80, 2015
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6ZP4
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![BU of 6zp4 by Molmil](/molmil-images/mine/6zp4) | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2 | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-08 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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4XGZ
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![BU of 4xgz by Molmil](/molmil-images/mine/4xgz) | Crystal structure of human paxillin LD2 motif in complex with Fab fragment | Descriptor: | 1,2-ETHANEDIOL, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ... | Authors: | Nocula-Lugowska, M, Lugowski, M, Salgia, R, Kossiakoff, A.A. | Deposit date: | 2015-01-04 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineering Synthetic Antibody Inhibitors Specific for LD2 or LD4 Motifs of Paxillin. J.Mol.Biol., 427, 2015
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4IPV
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![BU of 4ipv by Molmil](/molmil-images/mine/4ipv) | |