7NVG
 
 | | Salmonella flagellar basal body refined in C1 map | | Descriptor: | Basal-body rod modification protein FlgD, Flagellar L-ring protein, Flagellar M-ring protein, ... | | Authors: | Johnson, S, Furlong, E, Lea, S.M. | | Deposit date: | 2021-03-15 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular structure of the intact bacterial flagellar basal body.
Nat Microbiol, 6, 2021
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5FJJ
 | | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | | Deposit date: | 2015-10-09 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
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4J6M
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6VV7
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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2YF4
 | | Crystal structure of DR2231, the MazG-like protein from Deinococcus radiodurans, Apo structure | | Descriptor: | GLYCEROL, MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE, SULFATE ION | | Authors: | Goncalves, A.M.D, deSanctis, D, McSweeney, S.M. | | Deposit date: | 2011-04-01 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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7KJF
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate | | Descriptor: | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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3T6Y
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | Descriptor: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | Deposit date: | 2011-07-29 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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2YKT
 | | Crystal structure of the I-BAR domain of IRSp53 (BAIAP2) in complex with an EHEC derived Tir peptide | | Descriptor: | BRAIN-SPECIFIC ANGIOGENESIS INHIBITOR 1-ASSOCIATED PROTEIN 2, SULFATE ION, TRANSLOCATED INTIMIN RECEPTOR PROTEIN | | Authors: | de Groot, J.C, Schlueter, K, Carius, Y, Quedenau, C, Vingadassalom, D, Faix, J, Weiss, S.M, Reichelt, J, Standfuss-Gabisch, C, Lesser, C.F, Leong, J.M, Heinz, D.W, Buessow, K, Stradal, T.E.B. | | Deposit date: | 2011-05-30 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural Basis for Complex Formation between Human Irsp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. Coli.
Structure, 19, 2011
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2YBY
 | | Structure of domains 6 and 7 of the mouse complement regulator Factor H | | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H | | Authors: | Everett, R.J, Caesar, J.J.E, Johnson, S.J, Tang, C.M, Lea, S.M. | | Deposit date: | 2011-03-30 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules.
Plos Pathog., 8, 2012
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3OGG
 | | Crystal structure of the receptor binding domain of botulinum neurotoxin D | | Descriptor: | Botulinum neurotoxin type D | | Authors: | Zhang, Y, Gao, X, Qin, L, Buchko, G.W, Robinson, H, Varnum, S.M. | | Deposit date: | 2010-08-16 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural analysis of the receptor binding domain of botulinum neurotoxin serotype D.
Biochem.Biophys.Res.Commun., 401, 2010
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2YFD
 | | STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mg and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. | | Deposit date: | 2011-04-05 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.767 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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2YKK
 | | Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CEL44C, ... | | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | | Deposit date: | 2011-05-27 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
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1FDY
 | | N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH HYDROXYPYRUVATE | | Descriptor: | 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE | | Authors: | Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M. | | Deposit date: | 1996-07-08 | | Release date: | 1997-10-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
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3SXL
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7KJ9
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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4KQ6
 | | Product complex of lumazine synthase from candida glabrata | | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 6,7-dimethyl-8-ribityllumazine synthase, GLYCEROL, ... | | Authors: | Shankar, M, Wilbanks, S.M, Nakatani, Y, Monk, B.C, Tyndall, J.D.A. | | Deposit date: | 2013-05-14 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Catalysis product captured in lumazine synthase from the fungal pathogen Candida glabrata.
Acta Crystallogr.,Sect.D, 69, 2013
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1FDZ
 | | N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH PYRUVATE VIA BOROHYDRIDE REDUCTION | | Descriptor: | N-ACETYLNEURAMINATE LYASE, PYRUVIC ACID | | Authors: | Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M. | | Deposit date: | 1996-07-08 | | Release date: | 1997-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
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5FPZ
 | | The structure of KdgF from Yersinia enterocolitica with malonate bound in the active site. | | Descriptor: | MALONIC ACID, NICKEL (II) ION, PECTIN DEGRADATION PROTEIN | | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1FIO
 | | CRYSTAL STRUCTURE OF YEAST T-SNARE PROTEIN SSO1 | | Descriptor: | SSO1 PROTEIN, ZINC ION | | Authors: | Munson, M, Chen, X, Cocina, A.E, Schultz, S.M, Hughson, F.M. | | Deposit date: | 2000-08-04 | | Release date: | 2000-10-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interactions within the yeast t-SNARE Sso1p that control SNARE complex assembly.
Nat.Struct.Biol., 7, 2000
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3T32
 | | Crystal structure of a putative C-S lyase from Bacillus anthracis | | Descriptor: | Aminotransferase, class I/II | | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Peterson, S.N, Porebski, P, Minor, W, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-24 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative C-S lyase from Bacillus anthracis
TO BE PUBLISHED
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5FM9
 | | human Notch 1, EGF 4-7 | | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | Authors: | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | | Deposit date: | 2015-11-02 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
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2VOE
 | | Crystal structure of Rv2780 from M. tuberculosis H37Rv | | Descriptor: | ALANINE DEHYDROGENASE | | Authors: | Tripathi, S.M, Ramachandran, R. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Mycobacterium Tuberculosis Secretory Antigen Alanine Dehydrogenase (Rv2780) in Apo and Ternary Complex Forms Captures "Open" and "Closed" Enzyme Conformations.
Proteins, 72, 2008
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4KMN
 | | Structure of cIAP1-BIR3 and inhibitor | | Descriptor: | (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ... | | Authors: | Li, X, Wang, J, Condon, S.M, Shi, Y. | | Deposit date: | 2013-05-08 | | Release date: | 2014-05-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.523 Å) | | Cite: | Structure of cIAP1-BIR3 and inhibitor
To be Published
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2WDE
 | | Termus thermophilus Sulfate thiohydrolase SoxB in complex with thiosulfate | | Descriptor: | MANGANESE (II) ION, SULFUR OXIDATION PROTEIN SOXB, TERTIARY-BUTYL ALCOHOL, ... | | Authors: | Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C. | | Deposit date: | 2009-03-24 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
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5G21
 | | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | | Descriptor: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | Deposit date: | 2016-04-06 | | Release date: | 2017-02-15 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
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