2QG0
 
 | | HSP90 complexed with A943037 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Park, C.H. | | Deposit date: | 2007-06-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
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2HAL
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | Descriptor: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006
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2QG9
 | | Structure of a regulatory subunit mutant D19A of ATCase from E. coli | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Stec, B, Williams, M.K, Stieglitz, K.A, Kantrowitz, E.R. | | Deposit date: | 2007-06-28 | | Release date: | 2008-02-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors.
Acta Crystallogr.,Sect.D, 63, 2007
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5WHS
 | | Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.6 A | | Descriptor: | Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Diaz-Vilchis, A, Vega-Garcia, V, Rudino-Pinera, E, Hansberg, W. | | Deposit date: | 2017-07-18 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure, kinetics, molecular and redox properties of a cytosolic and developmentally regulated fungal catalase-peroxidase.
Arch. Biochem. Biophys., 640, 2018
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7JYM
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST | | Descriptor: | (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | | Authors: | Sack, J. | | Deposit date: | 2020-08-31 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.051 Å) | | Cite: | Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach.
Acs Med.Chem.Lett., 11, 2020
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3ET5
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3UHE
 | | HBI (M37V,L73I) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4D2X
 | | Negative-stain electron microscopy of E. coli ClpB of Y503D hyperactive mutant (BAP form bound to ClpP) | | Descriptor: | CHAPERONE PROTEIN CLPB | | Authors: | Carroni, M, Kummer, E, Oguchi, Y, Clare, D.K, Wendler, P, Sinning, I, Kopp, J, Mogk, A, Bukau, B, Saibil, H.R. | | Deposit date: | 2014-05-13 | | Release date: | 2014-06-04 | | Last modified: | 2019-01-23 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Head-to-Tail Interactions of the Coiled-Coil Domains Regulate Clpb Activity and Cooperation with Hsp70 in Protein Disaggregation.
Elife, 3, 2014
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1CMC
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3UHS
 | | HBI (L36M) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4YSW
 | | Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | | Deposit date: | 2015-03-17 | | Release date: | 2015-04-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
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4YTZ
 | | Rat xanthine oxidoreductase, C-terminal deletion protein variant, crystal grown without dithiothreitol | | Descriptor: | BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase
Febs J., 282, 2015
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2E8X
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GPP | | Descriptor: | GERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1KK0
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2E93
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-629 | | Descriptor: | Geranylgeranyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | Authors: | Guo, R.T, Cao, R, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4BU2
 | | 60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG) | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ... | | Authors: | Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J. | | Deposit date: | 2013-06-19 | | Release date: | 2014-05-14 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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1ROZ
 | | Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form | | Descriptor: | Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R. | | Deposit date: | 2003-12-02 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
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3MZV
 | | Crystal structure of a decaprenyl diphosphate synthase from Rhodobacter capsulatus | | Descriptor: | Decaprenyl diphosphate synthase | | Authors: | Quartararo, C.E, Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-13 | | Release date: | 2010-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1KJZ
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1KQJ
 | | Crystal Structure of a Mutant of MutY Catalytic Domain | | Descriptor: | A/G-SPECIFIC ADENINE GLYCOSYLASE, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Messick, T.E, Chmiel, N.H, Golinelli, M.P, David, S.S, Joshua-Tor, L. | | Deposit date: | 2002-01-06 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Noncysteinyl coordination to the [4Fe-4S]2+ cluster of the DNA repair adenine glycosylase MutY introduced via site-directed mutagenesis. Structural characterization of an unusual histidinyl-coordinated cluster.
Biochemistry, 41, 2002
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4CKK
 | | Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit | | Descriptor: | DNA GYRASE SUBUNIT A | | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
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5U79
 | | Crystal structure of a complex formed between MerB and Dimethyltin | | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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4CKL
 | | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
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5U83
 | | Crystal structure of a MerB-trimethytin complex. | | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.609 Å) | | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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2AF2
 | | Solution structure of disulfide reduced and copper depleted Human Superoxide Dismutase | | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Banci, L, Bertini, I, Cantini, F, D'Amelio, N, Gaggelli, E, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-07-25 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Human SOD1 before harboring the catalytic metal: solution structure of copper-depleted, disulfide-reduced form
J.Biol.Chem., 281, 2006
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