3SCE
 
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase with a covalent bond between the CE1 atom of Tyr303 and the CG atom of Gln360 (TvNiRb) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2011-06-07 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
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3MSH
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4EKD
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3MDO
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5TL9
 | | crystal structure of mPGES-1 bound to inhibitor | | Descriptor: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | | Deposit date: | 2016-10-10 | | Release date: | 2017-03-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
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3FDJ
 | | The structure of a DegV family protein from Eubacterium eligens. | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DegV family protein, ... | | Authors: | Cuff, M.E, Hendricks, R, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-11-25 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of a DegV family protein from Eubacterium eligens.
TO BE PUBLISHED
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4EUI
 | | Crystal Structure of MIF L46F mutant | | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | | Deposit date: | 2012-04-25 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
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3FGT
 | | Two chain form of the 66.3 kDa protein from mouse lacking the linker peptide | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | | Deposit date: | 2008-12-08 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography
Bmc Struct.Biol., 9, 2009
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4O06
 | | 1.15A Resolution Structure of the Proteasome Assembly Chaperone Nas2 PDZ Domain | | Descriptor: | Probable 26S proteasome regulatory subunit p27, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Singh, C.R, Chowdhury, W.Q, Geanes, E, Roelofs, J. | | Deposit date: | 2013-12-13 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | 1.15 angstrom resolution structure of the proteasome-assembly chaperone Nas2 PDZ domain.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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1FCZ
 | | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156 | | Descriptor: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2000-07-19 | | Release date: | 2000-09-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
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3U2C
 | | Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Aldose reductase, CITRIC ACID, ... | | Authors: | Steuber, H. | | Deposit date: | 2011-10-03 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 A supports a novel mechanism for its anticancer and antiproliferative effects.
Chemmedchem, 6, 2011
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4O5Q
 | | Crystal Structure of the Alkylhydroperoxide Reductase AhpF from Escherichia coli | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | | Authors: | Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2013-12-20 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
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4FA2
 | | Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
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4O3B
 | | Crystal structure of an open/closed glua2 ligand-binding domain dimer at 1.91 A resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krintel, C, de Rabassa, A.C, Frydenvang, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-12-18 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | L-Asp is a useful tool in the purification of the ionotropic glutamate receptor A2 ligand-binding domain.
Febs J., 281, 2014
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3EC5
 | | The crystal structure of Thioflavin-T (ThT) binding OspA mutant | | Descriptor: | Outer Surface Protein A, TETRAETHYLENE GLYCOL | | Authors: | Biancalana, M, Makabe, K, Koide, A, Koide, S. | | Deposit date: | 2008-08-28 | | Release date: | 2009-02-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular mechanism of thioflavin-T binding to the surface of beta-rich peptide self-assemblies
J.Mol.Biol., 385, 2009
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4F5V
 | | Crystal Structure of Leporine Serum Albumin | | Descriptor: | ACETATE ION, Serum albumin, TETRAETHYLENE GLYCOL, ... | | Authors: | Bujacz, A, Bujacz, G. | | Deposit date: | 2012-05-13 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structures of bovine, equine and leporine serum albumin.
Acta Crystallogr.,Sect.D, 68, 2012
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4F0S
 | | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine. | | Descriptor: | 5-methylthioadenosine/S-adenosylhomocysteine deaminase, CHLORIDE ION, INOSINE, ... | | Authors: | Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-05-04 | | Release date: | 2012-06-06 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine.
To be Published
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3O5U
 | | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | | Deposit date: | 2010-07-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
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3O32
 | | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol | | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,5-dichlorobenzene-1,2-diol, Chlorocatechol 1,2-dioxygenase, ... | | Authors: | Ferraroni, M, Briganti, F, Kolomytseva, M, Golovleva, L. | | Deposit date: | 2010-07-23 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
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4GXF
 | | Role of the biradical intermediate observed during the turnover of SLAC: A two-domain laccase from Streptomyces coelicolor | | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Putative copper oxidase, ... | | Authors: | Nederlof, I, Gupta, A, Canters, G.W. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.734 Å) | | Cite: | Involvement of Tyr108 in the enzyme mechanism of the small laccase from Streptomyces coelicolor
J.Am.Chem.Soc., 134, 2012
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4F1W
 | | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine | | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ... | | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-05-07 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
Structure, 21, 2013
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4F49
 | | 2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2012-05-10 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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5VU3
 | | Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae | | Descriptor: | ACETATE ION, Competence damage-inducible protein A, TETRAETHYLENE GLYCOL | | Authors: | Stogios, P.J, Skarina, T, McChesney, C, Sandoval, J, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-05-18 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae
To Be Published
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3RN1
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4N91
 | | Crystal structure of a trap periplasmic solute binding protein from anaerococcus prevotii dsm 20548 (Apre_1383), target EFI-510023, with bound alpha/beta d-glucuronate | | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-10-18 | | Release date: | 2013-11-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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