4DCS
 
 | | Crystal Structure of B. subtilis EngA in complex with sulfate ion and GDP | | Descriptor: | GTP-BINDING PROTEIN ENGA, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | Authors: | Reiser, J.-B, Housset, D, Foucher, A.-E, Jault, J.-M. | | Deposit date: | 2012-01-18 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Potassium Acts as a GTPase-Activating Element on Each Nucleotide-Binding Domain of the Essential Bacillus subtilis EngA.
Plos One, 7, 2012
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4DDB
 | | EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 | | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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3KVE
 | | Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase, ... | | Authors: | Gergiova, D, Murakami, M.T, Perbandt, M, Arni, R.K, Betzel, C. | | Deposit date: | 2009-11-30 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
To be Published
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3KHD
 | | Crystal Structure of PFF1300w. | | Descriptor: | Pyruvate kinase | | Authors: | Wernimont, A.K, Hutchinson, A, Hassanali, A, Mackenzie, F, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Bakszt, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-30 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of PFF1300w.
To be Published
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4DQK
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3KJS
 | | Crystal Structure of T. cruzi DHFR-TS with 3 high affinity DHFR inhibitors: DQ1 inhibitor complex | | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | | Deposit date: | 2009-11-03 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase.
Bioorg.Med.Chem., 18, 2010
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4DLC
 | | Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+ | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ... | | Authors: | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2012-02-06 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
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4DNU
 | | Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
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3KKZ
 | | Crystal structure of the Q5LES9_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR250. | | Descriptor: | S-ADENOSYLMETHIONINE, uncharacterized protein Q5LES9 | | Authors: | Vorobiev, S, Neely, H, Seetharaman, J, Wang, D, Ciccosanti, C, Foote, E.L, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-11-06 | | Release date: | 2009-11-24 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.677 Å) | | Cite: | Crystal structure of the Q5LES9_BACFN protein from Bacteroides fragilis.
To be Published
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4DPL
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with NadP | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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4DVZ
 | | Crystal structure of the Helicobacter pylori CagA oncoprotein | | Descriptor: | Cytotoxicity-associated immunodominant antigen | | Authors: | Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M. | | Deposit date: | 2012-02-23 | | Release date: | 2012-07-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Tertiary structure-function analysis reveals the pathogenic signaling potentiation mechanism of Helicobacter pylori oncogenic effector CagA
Cell Host Microbe, 12, 2012
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3KP1
 | | Crystal structure of ornithine 4,5 aminomutase (Resting State) | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ... | | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | | Deposit date: | 2009-11-14 | | Release date: | 2010-01-26 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
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4E03
 | | Structure of ParF-ADP form 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Plasmid partitioning protein ParF | | Authors: | Schumacher, M.A, Ye, Q, Barge, M.R, Barilla, D, Hayes, F. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Mechanism of ATP-induced Polymerization of the Partition Factor ParF: IMPLICATIONS FOR DNA SEGREGATION.
J.Biol.Chem., 287, 2012
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3KOW
 | | Crystal Structure of ornithine 4,5 aminomutase backsoaked complex | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ... | | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | | Deposit date: | 2009-11-14 | | Release date: | 2010-01-26 | | Last modified: | 2012-10-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
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4E1C
 | | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mg++ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | | Deposit date: | 2012-03-06 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and functional characterization of the Vibrio cholerae toxin
from the VgrG/MARTX family.
J.Biol.Chem., 2012
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3KRU
 | | Crystal Structure of the Thermostable Old Yellow Enzyme from Thermoanaerobacter pseudethanolicus E39 | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2009-11-19 | | Release date: | 2009-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 2010
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3KTM
 | | Structure of the Heparin-induced E1-Dimer of the Amyloid Precursor Protein (APP) | | Descriptor: | (3R)-butane-1,3-diol, ACETATE ION, Amyloid beta A4 protein, ... | | Authors: | Dahms, S.O, Hoefgen, S, Roeser, D, Schlott, B, Guhrs, K.H, Than, M.E. | | Deposit date: | 2009-11-25 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4DCV
 | | Crystal Structure of B. subtilis EngA in complex with GMPPCP | | Descriptor: | GTP-BINDING PROTEIN ENGA, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Reiser, J.-B, Housset, D, Foucher, A.-E, Jault, J.-M. | | Deposit date: | 2012-01-18 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Potassium Acts as a GTPase-Activating Element on Each Nucleotide-Binding Domain of the Essential Bacillus subtilis EngA.
Plos One, 7, 2012
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3KVZ
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan | | Descriptor: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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4DE9
 | | LytR-CPS2A-psr family protein YwtF (TagT) with bound octaprenyl pyrophosphate lipid | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, Putative transcriptional regulator ywtF | | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, S, Lewis, R.J, Vollmer, W. | | Deposit date: | 2012-01-20 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
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7WU7
 | | Prefoldin-tubulin-TRiC complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Prefoldin subunit 1, Prefoldin subunit 2, ... | | Authors: | Gestaut, D, Zhao, Y, Park, J, Ma, B, Leitner, A, Collier, M, Pintilie, G, Roh, S.-H, Chiu, W, Frydman, J. | | Deposit date: | 2022-02-07 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structural visualization of the tubulin folding pathway directed by human chaperonin TRiC/CCT.
Cell, 185, 2022
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3KVI
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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7XA7
 | | Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | | Authors: | Tang, L.F, Zhang, D, Han, P, Qi, J.X. | | Deposit date: | 2022-03-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
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4E38
 | | Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156) | | Descriptor: | CHLORIDE ION, Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-09 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156)
To be Published
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