2CN7
 
 | | Recombinant human H ferritin, K86Q, E27D and E107D mutant | | Descriptor: | CALCIUM ION, FERRITIN HEAVY CHAIN, GLYCEROL | | Authors: | Toussaint, L, Crichton, R.R, Declercq, J.P. | | Deposit date: | 2006-05-18 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites.
J.Mol.Biol., 365, 2007
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3BBF
 | | Crystal structure of the NM23-H2 transcription factor complex with GDP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2007-11-09 | | Release date: | 2008-09-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NM23-H2 may play an indirect role in transcriptional activation of c-myc gene expression but does not cleave the nuclease hypersensitive element III1.
Mol.Cancer Ther., 8, 2009
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2BH9
 | | X-RAY STRUCTURE OF A DELETION VARIANT OF HUMAN GLUCOSE 6-PHOSPHATE DEHYDROGENASE COMPLEXED WITH STRUCTURAL AND COENZYME NADP | | Descriptor: | GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Gover, S, Vandeputte-Rutten, L, Au, S.W.N, Adams, M.J. | | Deposit date: | 2005-01-08 | | Release date: | 2005-04-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase
Acta Crystallogr.,Sect.D, 61, 2005
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1ZDL
 | | Crystal Structure of Mouse Thioredoxin Reductase Type 2 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ... | | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | | Deposit date: | 2005-04-14 | | Release date: | 2005-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2A1N
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5ZCO
 | | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 2 mM azide solution for 2 days | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | | Deposit date: | 2018-02-19 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
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3WIA
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1SXV
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4MY9
 | | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MALONATE ION, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-27 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5893 Å) | | Cite: | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
To be Published
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4KW5
 | | M. tuberculosis DprE1 in complex with inhibitor TCA1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4G9P
 | | Structure of the GcpE-MEcPP (IspG) complex from Thermus thermophilus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Rekittke, I, Jomaa, H, Ermler, U. | | Deposit date: | 2012-07-24 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the GcpE (IspG)-MEcPP complex from Thermus thermophilus.
Febs Lett., 586, 2012
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3EXH
 | | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | | Descriptor: | GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | | Deposit date: | 2008-10-16 | | Release date: | 2008-11-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.444 Å) | | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
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4NM3
 | | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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4G09
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7WG5
 | | Cyclic electron transport supercomplex NDH-PSI from Arabidopsis | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Pan, X.W, Li, M. | | Deposit date: | 2021-12-28 | | Release date: | 2022-03-16 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
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5FIH
 | | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | | Descriptor: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | | Deposit date: | 2015-09-25 | | Release date: | 2016-02-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations.
J. Am. Chem. Soc., 138, 2016
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2AAW
 | | Studies on ligand binding and enzyme inhibition of Plasmodium falciparum glutathione S-transferase | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, L-TREITOL, S-HEXYLGLUTATHIONE, ... | | Authors: | Hiller, N, Fritz-Wolf, K, Deponte, M, Wende, W, Zimmermann, H, Becker, K. | | Deposit date: | 2005-07-14 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plasmodium falciparum glutathione S-transferase--structural and mechanistic studies on ligand binding and enzyme inhibition.
Protein Sci., 15, 2006
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3QVZ
 | | Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks cocrystallized in the presence of Cu(II) | | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), COPPER (II) ION, Cytochrome cb562, ... | | Authors: | Salgado, E.N, Tezcan, F.A. | | Deposit date: | 2011-02-26 | | Release date: | 2011-06-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Templated construction of a zn-selective protein dimerization motif.
Inorg.Chem., 50, 2011
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2POQ
 | | Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid | | Descriptor: | BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, ISOASCORBIC ACID, ... | | Authors: | Carbone, V, El-Kabbani, O. | | Deposit date: | 2007-04-27 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid.
Acta Crystallogr.,Sect.D, 64, 2008
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5OM2
 | | Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline | | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | | Authors: | Schmidt, K, Muller, Y.A. | | Deposit date: | 2017-07-28 | | Release date: | 2018-05-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4GP5
 | | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Li, Y, Chen, Y, Stout, C.D. | | Deposit date: | 2012-08-20 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
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2A9D
 | | Crystal structure of recombinant chicken sulfite oxidase with Arg at residue 161 | | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, SULFATE ION, ... | | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | | Deposit date: | 2005-07-11 | | Release date: | 2005-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structural insights into sulfite oxidase deficiency
J.Biol.Chem., 280, 2005
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1VIF
 | | STRUCTURE OF DIHYDROFOLATE REDUCTASE | | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | | Authors: | Narayana, N, Matthews, D.A, Howell, E.E, Xuong, N.-H. | | Deposit date: | 1996-10-03 | | Release date: | 1997-10-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site.
Nat.Struct.Biol., 2, 1995
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2Y92
 | | Crystal structure of MAL adaptor protein | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN, | | Authors: | Valkov, E, Stamp, A, Martin, J.L, Kobe, B. | | Deposit date: | 2011-02-11 | | Release date: | 2011-09-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
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