5L1A
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![BU of 5l1a by Molmil](/molmil-images/mine/5l1a) | Crystal structure of uncharacterized protein LPG2271 from Legionella pneumophila | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Uncharacterized protein | Authors: | Chang, C, Xu, X, Cui, H, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-07-28 | Release date: | 2016-08-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of uncharacterized protein LPG2271 from Legionella pneumophila To Be Published
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1T24
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![BU of 1t24 by Molmil](/molmil-images/mine/1t24) | Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ... | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1T41
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![BU of 1t41 by Molmil](/molmil-images/mine/1t41) | Crystal structure of human aldose reductase complexed with NADP and IDD552 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | Authors: | Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A. | Deposit date: | 2004-04-28 | Release date: | 2004-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48. Acta Crystallogr.,Sect.D, 60, 2004
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3LED
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![BU of 3led by Molmil](/molmil-images/mine/3led) | Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III from Rhodopseudomonas palustris CGA009 | Descriptor: | 3-oxoacyl-acyl carrier protein synthase III, FORMIC ACID | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-14 | Release date: | 2010-01-26 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III from Rhodopseudomonas palustris CGA009 To be Published
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3I2B
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![BU of 3i2b by Molmil](/molmil-images/mine/3i2b) | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase | Descriptor: | 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase To be Published
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4BR3
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![BU of 4br3 by Molmil](/molmil-images/mine/4br3) | Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies | Descriptor: | 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ... | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R. | Deposit date: | 2013-06-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies Chembiochem, 14, 2013
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1N00
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![BU of 1n00 by Molmil](/molmil-images/mine/1n00) | Annexin Gh1 from cotton | Descriptor: | SULFATE ION, annexin Gh1 | Authors: | Hofmann, A, Delmer, D.P, Wlodawer, A. | Deposit date: | 2002-10-10 | Release date: | 2003-06-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of annexin Gh1 from Gossypium hirsutum reveals an unusual S3 cluster. Eur.J.Biochem., 270, 2003
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7PBG
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![BU of 7pbg by Molmil](/molmil-images/mine/7pbg) | |
7PBI
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![BU of 7pbi by Molmil](/molmil-images/mine/7pbi) | |
3LJE
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![BU of 3lje by Molmil](/molmil-images/mine/3lje) | The X-ray structure of zebrafish RNase5 | Descriptor: | ACETATE ION, SULFATE ION, Zebrafish RNase5 | Authors: | Russo Krauss, I, Merlino, A, Coscia, F, Mazzarella, L, Sica, F. | Deposit date: | 2010-01-26 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A new RNase sheds light on the RNase/angiogenin subfamily from zebrafish. Biochem.J., 433, 2010
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8RPP
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![BU of 8rpp by Molmil](/molmil-images/mine/8rpp) | |
9ASV
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![BU of 9asv by Molmil](/molmil-images/mine/9asv) | Crystal structure of SARS-CoV-2 3CL protease in complex with a benzyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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9AT1
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![BU of 9at1 by Molmil](/molmil-images/mine/9at1) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (R-enantiomer) | Descriptor: | (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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3LHH
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![BU of 3lhh by Molmil](/molmil-images/mine/3lhh) | The crystal structure of CBS domain protein from Shewanella oneidensis MR-1. | Descriptor: | ADENOSINE MONOPHOSPHATE, CBS domain protein | Authors: | Tan, K, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-22 | Release date: | 2010-02-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of CBS domain protein from Shewanella oneidensis MR-1. To be Published
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3QGM
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![BU of 3qgm by Molmil](/molmil-images/mine/3qgm) | p-nitrophenyl phosphatase from Archaeoglobus fulgidus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, p-nitrophenyl phosphatase (Pho2) | Authors: | Osipiuk, J, Zheng, H, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-01-24 | Release date: | 2011-02-09 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | p-nitrophenyl phosphatase from Archaeoglobus fulgidus. To be Published
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4GD3
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![BU of 4gd3 by Molmil](/molmil-images/mine/4gd3) | Structure of E. coli hydrogenase-1 in complex with cytochrome b | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | Deposit date: | 2012-07-31 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of the O(2)-Tolerant Membrane-Bound Hydrogenase 1 from Escherichia coli in Complex with Its Cognate Cytochrome b. Structure, 21, 2013
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3LEQ
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![BU of 3leq by Molmil](/molmil-images/mine/3leq) | The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A | Descriptor: | uncharacterized protein cvnB5 | Authors: | Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-15 | Release date: | 2010-02-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A To be Published
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1T2D
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![BU of 1t2d by Molmil](/molmil-images/mine/1t2d) | Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate | Descriptor: | GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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4D07
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![BU of 4d07 by Molmil](/molmil-images/mine/4d07) | DYNLL2 dynein light chain binds to an extended, unstructured linear motif of myosin 5a tail | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT (II) ION, DYNEIN LIGHT CHAIN 2, ... | Authors: | Bodor, A, Radnai, L, Hetenyi, C, Rapali, P, Lang, A, Kover, K.E, Perczel, A, Wahlgren, W.Y, Katona, G, Nyitray, L. | Deposit date: | 2014-04-24 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dynll2 Dynein Light Chain Binds to an Extended Linear Motif of Myosin 5A Tail that Has Structural Plasticity. Biochemistry, 53, 2014
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5X7Q
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![BU of 5x7q by Molmil](/molmil-images/mine/5x7q) | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch Biochem. J., 474, 2017
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1TE2
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![BU of 1te2 by Molmil](/molmil-images/mine/1te2) | Putative Phosphatase Ynic from Escherichia coli K12 | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 2-deoxyglucose-6-P phosphatase, CALCIUM ION | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-24 | Release date: | 2004-08-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Putative Phosphatase Ynic from Escherichia coli K12 To be Published
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7P8F
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![BU of 7p8f by Molmil](/molmil-images/mine/7p8f) | Crystal structure of YTHDC1 with compound YLI_DC1_008 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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1NAG
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![BU of 1nag by Molmil](/molmil-images/mine/1nag) | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | Deposit date: | 1992-08-18 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
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1A4G
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![BU of 1a4g by Molmil](/molmil-images/mine/1a4g) | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | Authors: | Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J. | Deposit date: | 1998-01-29 | Release date: | 1999-03-02 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. J.Med.Chem., 41, 1998
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1TJF
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![BU of 1tjf by Molmil](/molmil-images/mine/1tjf) | The crystal structure of the N-terminal domain of CAP indicates variable oligomerisation | Descriptor: | Adenylyl cyclase-associated protein, SULFATE ION | Authors: | Mohd Yusof, A, Hu, N.J, Wlodawer, A, Hofmann, A. | Deposit date: | 2004-06-04 | Release date: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural evidence for variable oligomerization of the N-terminal domain of cyclase-associated protein (CAP). Proteins, 58, 2005
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