2AD7
 
 | | crystal structure of methanol dehydrogenase from M. W3A1 (form C) in the presence of methanol | | Descriptor: | CALCIUM ION, Methanol dehydrogenase subunit 1, Methanol dehydrogenase subunit 2, ... | | Authors: | Li, J, Gan, J.-H, Xia, Z.-X, Mathews, F.S. | | Deposit date: | 2005-07-20 | | Release date: | 2006-07-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The enzymatic reaction-induced configuration change of the prosthetic group PQQ of methanol dehydrogenase
Biochem.Biophys.Res.Commun., 406, 2011
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1W1J
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1VIE
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3EH4
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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2ACS
 | | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-04-15 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
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2ACR
 | | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | | Descriptor: | ALDOSE REDUCTASE, CACODYLATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-04-15 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
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3BHK
 | | Crystal structure of R49K mutant of monomeric sarcosine oxidase crystallized in phosphate as precipitant | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Hassan-Abdallah, A, Zhao, G, Chen, Z, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2007-11-28 | | Release date: | 2008-02-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Arginine 49 is a bifunctional residue important in catalysis and biosynthesis of monomeric sarcosine oxidase: a context-sensitive model for the electrostatic impact of arginine to lysine mutations.
Biochemistry, 47, 2008
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5OTJ
 | | Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies | | Descriptor: | 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ... | | Authors: | Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2017-08-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a patient-derived antibody in complex with allergen reveals simultaneous conventional and superantigen-like recognition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3EH3
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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1G7B
 | | 1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K | | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | | Deposit date: | 2000-11-09 | | Release date: | 2001-08-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced?
Acta Crystallogr.,Sect.D, 57, 2001
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5FC7
 | | Murine SMPDL3A in complex with sulfate (tetragonal) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | Deposit date: | 2015-12-15 | | Release date: | 2016-01-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.456 Å) | | Cite: | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
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4D7D
 | | Cytochrome P450 3A4 bound to an inhibitor | | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate | | Authors: | Sevrioukova, I, Poulos, T. | | Deposit date: | 2014-11-22 | | Release date: | 2015-09-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
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3I6N
 | | Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, CALCIUM ION, ... | | Authors: | Singh, A.K, Kumar, R.P, Pandey, N, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2009-07-07 | | Release date: | 2009-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution.
J.Biol.Chem., 285, 2010
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4NYR
 | | In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 2.5 A resolution of a glycosylated, lipid-binding, lipocalin-like protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Coussens, N.P, Gallat, F.-X, Ramaswamy, S, Yagi, K, Tobe, S.S, Stay, B, Chavas, L.M.G. | | Deposit date: | 2013-12-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
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1W73
 | | Binary structure of human DECR solved by SeMet SAD. | | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | | Deposit date: | 2004-08-27 | | Release date: | 2004-10-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
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5R68
 | | XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e | | Descriptor: | (1-methylbenzotriazol-5-yl)methanol, 1,2-ETHANEDIOL, YEATS domain-containing protein 4 | | Authors: | Raux, B, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K.V.M. | | Deposit date: | 2020-02-29 | | Release date: | 2020-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | XChem group deposition
To Be Published
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5XSX
 | | Crystal structure of an archaeal chitinase in the substrate-complex form (P212121) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, GLYCEROL, ... | | Authors: | Nishitani, Y, Miki, K. | | Deposit date: | 2017-06-15 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.642 Å) | | Cite: | Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
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4N54
 | | Crystal structure of scyllo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD(H) and scyllo-inositol | | Descriptor: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol dehydrogenase | | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | | Deposit date: | 2013-10-09 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of scyllo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD(H) and scyllo-inositol
To be Published
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4E6C
 | | p38a-perifosine Complex | | Descriptor: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate, Mitogen-activated protein kinase 14 | | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | | Deposit date: | 2012-03-15 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
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2QHW
 | | Crystal structure of a complex of phospholipase A2 with a gramine derivative at 2.2 resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-07-03 | | Release date: | 2008-01-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of a complex of phospholipase A2 with a gramine derivative at 2.2 resolution
TO BE PUBLISHED
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1F0C
 | | STRUCTURE OF THE VIRAL SERPIN CRMA | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ICE INHIBITOR | | Authors: | Renatus, M, Zhou, Q, Stennicke, H.R, Snipas, S.J, Turk, D, Bankston, L.A, Liddington, R.C, Salvesen, G.S. | | Deposit date: | 2000-05-15 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of the apoptotic suppressor CrmA in its cleaved form.
Structure Fold.Des., 8, 2000
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2PDF
 | | Human aldose reductase mutant L300P complexed with zopolrestat. | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-03-31 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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5U3N
 | | Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide | | Descriptor: | DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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1RRM
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1G7A
 | | 1.2 A structure of T3R3 human insulin at 100 K | | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | | Deposit date: | 2000-11-09 | | Release date: | 2001-08-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced?
Acta Crystallogr.,Sect.D, 57, 2001
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