4FHA
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![BU of 4fha by Molmil](/molmil-images/mine/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
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![BU of 1tjr by Molmil](/molmil-images/mine/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
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![BU of 1tjp by Molmil](/molmil-images/mine/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
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![BU of 6r2l by Molmil](/molmil-images/mine/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
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![BU of 5hyr by Molmil](/molmil-images/mine/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
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![BU of 3mht by Molmil](/molmil-images/mine/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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![BU of 3vfl by Molmil](/molmil-images/mine/3vfl) | |
9EY4
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![BU of 9ey4 by Molmil](/molmil-images/mine/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
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![BU of 9ey3 by Molmil](/molmil-images/mine/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
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![BU of 5a1s by Molmil](/molmil-images/mine/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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![BU of 1apw by Molmil](/molmil-images/mine/1apw) | |
1APV
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![BU of 1apv by Molmil](/molmil-images/mine/1apv) | |
2LQQ
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![BU of 2lqq by Molmil](/molmil-images/mine/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
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![BU of 4tvh by Molmil](/molmil-images/mine/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
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![BU of 4v9q by Molmil](/molmil-images/mine/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
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![BU of 2je3 by Molmil](/molmil-images/mine/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
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![BU of 2je2 by Molmil](/molmil-images/mine/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
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![BU of 3uxj by Molmil](/molmil-images/mine/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
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![BU of 3p8e by Molmil](/molmil-images/mine/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
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![BU of 10mh by Molmil](/molmil-images/mine/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
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![BU of 4v8i by Molmil](/molmil-images/mine/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
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![BU of 4v95 by Molmil](/molmil-images/mine/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
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![BU of 4v6f by Molmil](/molmil-images/mine/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
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![BU of 6xvf by Molmil](/molmil-images/mine/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
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![BU of 6f6r by Molmil](/molmil-images/mine/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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