6FX8
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4MUY
| IspH in complex with pyridin-4-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4MK3
| Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) | Descriptor: | Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ... | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) To be published
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4ML9
| Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kim, Y, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-06 | Release date: | 2013-09-18 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis To be Published
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4MPI
| Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase | Authors: | Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A. | Deposit date: | 2013-09-12 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain. Febs J., 281, 2014
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6FX9
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4MJT
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4MVN
| Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | Authors: | Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. | Deposit date: | 2013-09-24 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
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4MNU
| Crystal Structure of Uncharacterized SlyA-like Transcription Regulator from Listeria monocytogenes | Descriptor: | GLYCEROL, SULFATE ION, SlyA-like transcription regulator | Authors: | Kim, Y, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-11 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Crystal Structure of Uncharacterized SlyA-like Transcription Regulator from
Listeria monocytogenes To be Published
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4MY3
| Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GCN5-related N-acetyltransferase | Authors: | Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-27 | Release date: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida To be Published
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6G5U
| Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2018-03-30 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem, 156, 2018
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6G6T
| Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2018-04-03 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem, 156, 2018
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6FOH
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6FTV
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6GB5
| Structure of H-2Db with truncated SEV peptide and GL | Descriptor: | Beta-2-microglobulin, GLY-LEU, GLYCEROL, ... | Authors: | Hafstrand, I, Sandalova, T, Achour, A. | Deposit date: | 2018-04-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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5AZU
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4WZV
| Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2014-11-20 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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8ORM
| Cryo-EM structure of CAK-THZ1 | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-04-14 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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1QD1
| THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE. | Descriptor: | FORMIMINOTRANSFERASE-CYCLODEAMINASE, GLYCEROL, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid | Authors: | Kohls, D, Sulea, T, Purisima, E, MacKenzie, R.E, Vrielink, A. | Deposit date: | 1999-07-08 | Release date: | 2000-01-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme. Structure Fold.Des., 8, 2000
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4UVC
| LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | Deposit date: | 2014-08-05 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A. Eur.J.Med.Chem., 86C, 2014
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8P98
| BtuB3G3 bound to cyanocobalamin with ordered EL8 | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein, Vitamin B12 transporter BtuB | Authors: | Silale, A, Abellon-Ruiz, J, van den Berg, B. | Deposit date: | 2023-06-05 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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1QM1
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8P9R
| Structure of the periplasmic domain of ExbD from E. coli in complex with TonB | Descriptor: | Biopolymer transport protein ExbD, Protein TonB | Authors: | Zinke, M, Mechaly, A, Lejeune, M, Haouz, A, Izadi-Pruneyre, N. | Deposit date: | 2023-06-06 | Release date: | 2023-09-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake. Nat Commun, 15, 2024
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4URJ
| Crystal structure of human BJ-TSA-9 | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-06-30 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal Structure of Human Bj-Tsa-9 To be Published
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1QQB
| PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX | Descriptor: | 5'-D(*TP*AP*CP*GP*CP*AP*AP*TP*CP*GP*AP*TP*TP*GP*CP*GP*T)-3', HYPOXANTHINE, PURINE NUCLEOTIDE SYNTHESIS REPRESSOR | Authors: | Glasfeld, A, Koehler, A.N, Schumacher, M.A, Brennan, R.G. | Deposit date: | 1999-06-01 | Release date: | 1999-06-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The role of lysine 55 in determining the specificity of the purine repressor for its operators through minor groove interactions. J.Mol.Biol., 291, 1999
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