6EY2
 
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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2QC5
 | | Streptogramin B lyase structure | | Descriptor: | IODIDE ION, Streptogramin B lactonase | | Authors: | Lipka, M, Bochtler, M. | | Deposit date: | 2007-06-19 | | Release date: | 2008-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure and mechanism of the Staphylococcus cohnii virginiamycin B lyase (Vgb).
Biochemistry, 47, 2008
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5MRP
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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3SQY
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6F71
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3SRR
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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3SR5
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4MVN
 | | Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | | Descriptor: | Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | | Authors: | Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
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8AZC
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3SRW
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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6UNF
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2QG8
 | | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Acyl Carrier Protein Synthase PY06285, MAGNESIUM ION | | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Brokx, S, Altamentova, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound
TO BE PUBLISHED
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1I0F
 | | 1.6 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-AMINOOXYETHYL THYMINE IN PLACE OF T6, BA-FORM | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(127)P*AP*CP*GP*C)-3', BARIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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6RB2
 | | Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form | | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M. | | Deposit date: | 2019-04-09 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.20001125 Å) | | Cite: | The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6R3A
 | | BACTERIOPHAGE SPP1 MATURE CAPSID PROTEIN | | Descriptor: | Major capsid protein | | Authors: | Ignatiou, A, El Sadek Fadel, M, Buerger, J, Mielke, T, Topf, M, Tavares, P. | | Deposit date: | 2019-03-19 | | Release date: | 2019-10-23 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural transitions during the scaffolding-driven assembly of a viral capsid.
Nat Commun, 10, 2019
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6F4F
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with glutathionyl-S-dinitrobenzene | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE S-(2,4 DINITROBENZENE), ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
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6UN9
 | | Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25 | | Descriptor: | Uncharacterized protein | | Authors: | Vorobiev, S.M, Seetharaman, J, Kolev, M, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2019-10-11 | | Release date: | 2020-12-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Q7VLF5_HAEDU protein from Haemophilus ducreyi. Northeast Structural Genomics Consortium Target Hdr25
To Be Published
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1I0G
 | | 1.45 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-FLUOROETHYL THYMINE IN PLACE OF T6, MEDIUM NA-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3', SODIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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7CDC
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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1I0J
 | | 1.06 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-3'-METHYLENEPHOSPHONATE (T23) THYMINE IN PLACE OF T6, HIGH CS-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3', CESIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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7CDF
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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1I0K
 | | 1.05 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-[TRI(OXYETHYL)] THYMINE IN PLACE OF T6, MEDIUM CS-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3', CESIUM ION | | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | | Deposit date: | 2001-01-29 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments.
Nucleic Acids Res., 29, 2001
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7A9W
 | | Structure of yeast Rmd9p in complex with 20nt target RNA | | Descriptor: | CHLORIDE ION, Protein RMD9, mitochondrial, ... | | Authors: | Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M. | | Deposit date: | 2020-09-02 | | Release date: | 2021-04-07 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
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