4LA1
 
 | | Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Peng, Y, Wu, Q, Huang, F, Chen, J, Li, X, Zhou, X, Fan, X. | | Deposit date: | 2013-06-18 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | Crystal structure of SjTGR complex with FAD
To be Published
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2ISL
 | | BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB, OXYGEN MOLECULE | | Authors: | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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6F1O
 | | Orthorhombic Lysozyme crystallized at 298 K and pH 4.5 | | Descriptor: | CHLORIDE ION, Lysozyme C, PHOSPHATE ION | | Authors: | Camara-Artigas, A. | | Deposit date: | 2017-11-22 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
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4QVB
 | | Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... | | Authors: | Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. | | Deposit date: | 2014-07-14 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
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3DMS
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6I0C
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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2J3K
 | | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex II | | Descriptor: | (2E,4R)-4-HYDROXYNON-2-ENAL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | | Deposit date: | 2006-08-22 | | Release date: | 2006-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970.
J. Biol. Chem., 281, 2006
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2J56
 | | X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- semiquinone in complex with amicyanin. | | Descriptor: | AMICYANIN, COPPER (II) ION, GLYCEROL, ... | | Authors: | Pearson, A.R, Pahl, R, Davidson, V.L, Wilmot, C.M. | | Deposit date: | 2006-09-12 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tracking X-Ray-Derived Redox Changes in Crystals of a Methylamine Dehydrogenase/Amicyanin Complex Using Single-Crystal Uv/Vis Microspectrophotometry.
J.Synchrotron Radiat., 14, 2007
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5VM2
 | | Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from Escherichia coli | | Descriptor: | Alcohol dehydrogenase, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Stogios, P.J, Skarina, T, McChesney, C, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-04-26 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from Escherichia coli
To Be Published
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3IO5
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6F7Q
 | | Human Butyrylcholinesterase complexed with N-Propargyliperidines | | Descriptor: | 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | | Deposit date: | 2017-12-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
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4QYF
 | | CHK1 kinase domain in complex with aminopyrazine compound 13 | | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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6B2F
 | | Phosphotriesterase variant S5 + TS analogue | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-09-20 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.775 Å) | | Cite: | Phosphotriesterase variant S5 + TS analogue
To Be Published
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2V6F
 | | Structure of Progesterone 5beta-Reductase from Digitalis Lanata | | Descriptor: | PROGESTERONE 5-BETA-REDUCTASE, SODIUM ION | | Authors: | Thorn, A, Egerer-Sieber, C, Jaeger, C.M, Herl, V, Mueller-Uri, F, Kreis, W, Muller, Y.A. | | Deposit date: | 2007-07-18 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structure of Progesterone 5{Beta}-Reductase from Digitalis Lanata Defines a Novel Class of Short Chain Dehydrogenases/Reductases.
J.Biol.Chem., 283, 2008
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3DVA
 | | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | | Deposit date: | 2008-07-18 | | Release date: | 2009-01-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex
Structure, 16, 2008
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4LEF
 | | Crystal structure of PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI complexed with phosphate in active site | | Descriptor: | PHOSPHATE ION, Phosphotriesterase homology protein, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Xiang, D.F, Raushel, F.M, Almo, S.C. | | Deposit date: | 2013-06-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | Crystal structure of PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI complexed with phosphate in active site
To be Published
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2J3J
 | | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex I | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | | Deposit date: | 2006-08-21 | | Release date: | 2006-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970.
J. Biol. Chem., 281, 2006
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7W89
 | | The structure of Deinococcus radiodurans Yqgf | | Descriptor: | Putative pre-16S rRNA nuclease | | Authors: | Cheng, K. | | Deposit date: | 2021-12-07 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.500061 Å) | | Cite: | Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans.
Mbio, 13, 2022
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4R01
 | | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4 | | Descriptor: | CHLORIDE ION, SULFATE ION, putative NADH-flavin reductase | | Authors: | Stogios, P.J, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
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6F9H
 | | Crystal structure of Barley Beta-Amylase complexed with 4-S-alpha-D-glucopyranosyl-(1,4-dideoxy-4-thio-nojirimycin) | | Descriptor: | 1,4-dideoxy-4-thio-nojirimycin, Beta-amylase, CHLORIDE ION, ... | | Authors: | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | | Deposit date: | 2017-12-14 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination
To be published
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4R0F
 | | Structure of Lysozyme Dimer at 318K | | Descriptor: | GLYCEROL, Lysozyme C | | Authors: | Sharma, P, Ashish | | Deposit date: | 2014-07-31 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation.
Sci Rep, 6, 2016
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6H8J
 | | 1.45 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPTO | | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2018-08-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into Urease Inhibition by N-( n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach.
J.Agric.Food Chem., 67, 2019
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2J9F
 | | Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | | Authors: | Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2006-11-07 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism.
J.Biol.Chem., 282, 2007
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7W0J
 | | Acyl-CoA dehydrogenase, Tfu_1647 | | Descriptor: | Acyl-CoA dehydrogenase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Liu, L.X, Zhou, S.H, Deng, Y. | | Deposit date: | 2021-11-18 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Crystal structure of an Acyl-CoA dehydrogenase Tfu_1647
To Be Published
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3DUG
 | | Crystal structure of zn-dependent arginine carboxypeptidase complexed with zinc | | Descriptor: | ARGININE, GLYCEROL, ZINC ION, ... | | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Freeman, J, Iizuka, M, Bain, K, Rodgers, L, Raushel, F, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-07-17 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Functional identification of incorrectly annotated prolidases from the amidohydrolase superfamily of enzymes.
Biochemistry, 48, 2009
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