4FHA
 
 | | Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine | | Descriptor: | Dihydrodipicolinate synthase, LYSINE, SODIUM ION | | Authors: | Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A. | | Deposit date: | 2012-06-06 | | Release date: | 2013-09-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
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1TJR
 | | Crystal structure of wild-type BX1 complexed with a sulfate ion | | Descriptor: | BX1, SULFATE ION | | Authors: | Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2004-06-07 | | Release date: | 2005-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
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1TJP
 | | Crystal Structure Of Wild-Type Tryptophan Synthase Complexed With 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate | | Descriptor: | 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2004-06-07 | | Release date: | 2005-12-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
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6R2L
 | | NYBR1-A2-SLSKILDTV | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Sami, M. | | Deposit date: | 2019-03-18 | | Release date: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NYBR1-A2-SLSKILDTV
To Be Published
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5HYR
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol | | Descriptor: | ESTRADIOL, Estrogen receptor, GLYCEROL, ... | | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W. | | Deposit date: | 2016-02-01 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.271 Å) | | Cite: | Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
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3MHT
 | | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH UNMODIFIED DNA AND ADOHCY | | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ... | | Authors: | O'Gara, M, Klimasauskas, S, Roberts, R.J, Cheng, X. | | Deposit date: | 1996-07-24 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes.
J.Mol.Biol., 261, 1996
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3VFL
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9EY4
 | | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Krajczy, P, Hausch, F. | | Deposit date: | 2024-04-09 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.
Chemistry, 2024
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9EY3
 | | The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Krajczy, P, Hausch, F. | | Deposit date: | 2024-04-09 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.
Chemistry, 2024
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5A1S
 | | Crystal structure of the sodium-dependent citrate symporter SeCitS form Salmonella enterica. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CITRATE ANION, ... | | Authors: | Woehlert, D, Groetzinger, M.J, Kuhlbrandt, W, Yildiz, O. | | Deposit date: | 2015-05-05 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Na(+)-dependent citrate transport from the structure of an asymmetrical CitS dimer.
Elife, 4, 2015
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1APW
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1APV
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2LQQ
 | | Oxidized Mrx1 | | Descriptor: | Putative glutaredoxin Rv3198.1/MT3292 | | Authors: | Buts, L, Van Laer, K, Messens, J. | | Deposit date: | 2012-03-11 | | Release date: | 2012-10-10 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria.
Mol.Microbiol., 86, 2012
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4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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4V9Q
 | | Crystal Structure of Blasticidin S Bound to Thermus Thermophilus 70S Ribosome. | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A. | | Deposit date: | 2013-06-12 | | Release date: | 2014-07-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blasticidin S inhibits translation by trapping deformed tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2JE3
 | | Cytochrome P460 from Nitrosomonas europaea - probable physiological form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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2JE2
 | | Cytochrome P460 from Nitrosomonas europaea - probable nonphysiological oxidized form | | Descriptor: | CYTOCHROME P460, HEME C, PHOSPHATE ION | | Authors: | Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M. | | Deposit date: | 2007-01-13 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
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3UXJ
 | | Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with NADP and PreQ0 | | Descriptor: | 1,2-ETHANEDIOL, 7-DEAZA-7-AMINOMETHYL-GUANINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kim, Y, Zhang, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from
Vibrio cholerae complexed with NADP and PreQ0
To be Published, 2012
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3P8E
 | | Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1S)-1-aminopentyl]-L-ornithine | | Authors: | Lluis, M, Wang, Y, Monzingo, A.F, Fast, W, Robertus, J.D. | | Deposit date: | 2010-10-13 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4946 Å) | | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1.
Chemmedchem, 6, 2011
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10MH
 | | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET | | Descriptor: | DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ... | | Authors: | Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X. | | Deposit date: | 1998-08-10 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine.
J.Mol.Biol., 285, 1999
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4V8I
 | | Crystal structure of YfiA bound to the 70S ribosome. | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Blaha, G.M, Steitz, T.A. | | Deposit date: | 2011-12-12 | | Release date: | 2014-07-09 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | How hibernation factors RMF, HPF, and YfiA turn off protein synthesis.
Science, 336, 2012
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4V95
 | | Crystal structure of YAEJ bound to the 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Gagnon, M.G, Seetharaman, S.V, Bulkley, D.P, Steitz, T.A. | | Deposit date: | 2012-01-27 | | Release date: | 2014-07-09 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the rescue of stalled ribosomes: structure of YaeJ bound to the ribosome.
Science, 335, 2012
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4V6F
 | | Elongation complex of the 70S ribosome with three tRNAs and mRNA. | | Descriptor: | 16S ribosomal RNA, 23S RIBOSOMAL RNA, 23S RRNA, ... | | Authors: | Jenner, L.B, Yusupova, G, Yusupov, M. | | Deposit date: | 2009-07-09 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural aspects of messenger RNA reading frame maintenance by the ribosome.
Nat.Struct.Mol.Biol., 17, 2010
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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6F6R
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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