4MLQ
| Crystal structure of Bacillus megaterium porphobilinogen deaminase | Descriptor: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, ACETIC ACID, ... | Authors: | Azim, N, Deery, E, Warren, M.J, Erskine, P, Cooper, J.B, Coker, A, Wood, S.P, Akhtar, M. | Deposit date: | 2013-09-06 | Release date: | 2014-04-02 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural evidence for the partially oxidized dipyrromethene and dipyrromethanone forms of the cofactor of porphobilinogen deaminase: structures of the Bacillus megaterium enzyme at near-atomic resolution. Acta Crystallogr.,Sect.D, 70, 2014
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4L09
| Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4N2I
| Crystal structure of Protein Arginine Deiminase 2 (D177A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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3G48
| Crystal structure of chaperone CsaA form Bacillus anthracis str. Ames | Descriptor: | 1,2-ETHANEDIOL, Chaperone CsaA, GLYCEROL, ... | Authors: | Nocek, B, Zhou, M, Stam, J, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-02-03 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of chaperone CsaA form Bacillus anthracis str. Ames TO BE PUBLISHED
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3GAT
| SOLUTION NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, 34 STRUCTURES | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | Authors: | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1997-11-07 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
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4L5H
| Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins | Descriptor: | GLYCEROL, VVTL1 | Authors: | Marangon, M, Menz, R.I, Waters, E.J, Van Sluyter, S.C. | Deposit date: | 2013-06-11 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins. Plos One, 9, 2014
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4L93
| Crystal structure of Human Hsp90 with S36 | Descriptor: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Crystal structure of Human Hsp90 with S36 To be Published
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1IKU
| myristoylated recoverin in the calcium-free state, NMR, 22 structures | Descriptor: | MYRISTIC ACID, RECOVERIN | Authors: | Tanaka, T, Ames, J.B, Harvey, T.S, Stryer, L, Ikura, M. | Deposit date: | 1996-01-18 | Release date: | 1996-07-11 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Sequestration of the membrane-targeting myristoyl group of recoverin in the calcium-free state. Nature, 376, 1995
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4L7D
| Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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2ESL
| Human Cyclophilin C in Complex with Cyclosporin A | Descriptor: | CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ... | Authors: | Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-26 | Release date: | 2005-12-13 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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1QHA
| HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Rosano, C, Sabini, E, Deriu, D, Magnani, M, Bolognesi, M. | Deposit date: | 1999-05-11 | Release date: | 1999-11-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control. Structure Fold.Des., 7, 1999
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3SM1
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1LR7
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5S18
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461 | Descriptor: | 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4MQL
| Crystal structure of Antigen 85C-C209S mutant | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | Authors: | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | Deposit date: | 2013-09-16 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen. Nat Commun, 4, 2013
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4KWA
| Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with choline | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHOLINE ION, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-23 | Release date: | 2013-06-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with choline To be Published
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3GG7
| Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, ... | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Tang, B.K, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans To be Published
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3OD9
| Crystal structure of PliI-Ah, periplasmic lysozyme inhibitor of I-type lysozyme from Aeromonas hydrophyla | Descriptor: | POTASSIUM ION, Putative exported protein, SODIUM ION | Authors: | Leysen, S, Van Herreweghe, J.M, Callewaert, L, Heirbaut, M, Buntinx, P, Michiels, C.W, Strelkov, S.V. | Deposit date: | 2010-08-11 | Release date: | 2010-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | Molecular Basis of Bacterial Defense against Host Lysozymes: X-ray Structures of Periplasmic Lysozyme Inhibitors PliI and PliC. J.Mol.Biol., 405, 2011
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4KYK
| Crystal structure of mouse glyoxalase I complexed with indomethacin | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | Deposit date: | 2013-05-29 | Release date: | 2013-08-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
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4KYZ
| Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327 | Descriptor: | Designed protein OR327 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-29 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks. Elife, 4, 2015
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3OGX
| Crystal structure of the complex of Peptidoglycan Recognition protein (PGRP-s) with Heparin-Dissacharide at 2.8 A resolution | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-08-17 | Release date: | 2010-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of heparin binding to camel peptidoglycan recognition protein-S Int J Biochem Mol Biol, 3, 2012
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4MQ3
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3OCI
| Crystal structure of TBP (TATA box binding protein) | Descriptor: | 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1) | Authors: | Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P. | Deposit date: | 2010-08-10 | Release date: | 2011-07-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP. Nature, 475, 2011
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2F2S
| Human mitochondrial acetoacetyl-CoA thiolase | Descriptor: | Acetyl-CoA acetyltransferase, mitochondrial, CHLORIDE ION, ... | Authors: | Min, J.R, Dombrovski, L, Antoshenko, T, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-17 | Release date: | 2005-11-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Human Mitochondrial Acetoacetyl-Coa Thiolase Acat1. To be Published
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3G20
| Crystal structure of the major pseudopilin from the type 2 secretion system of enterohaemorrhagic Escherichia coli | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Korotkov, K.V, Gray, M.D, Kreger, A, Turley, S, Sandkvist, M, Hol, W.G.J. | Deposit date: | 2009-01-30 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Calcium is essential for the major pseudopilin in the type 2 secretion system. J.Biol.Chem., 284, 2009
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