PDB: 12060 resultsInfo pagesStatus searchChemie searchBIRD

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5OR0	NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA Descriptor: RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') Authors: Campagne, S, Clery, A, Allain, F.H. Deposit date: 2017-08-14 Release date: 2017-08-30 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers. Nat Commun, 8, 2017
3L41	Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A Descriptor: BRCT-containing protein 1, phosphorylated H2A tail Authors: Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. Deposit date: 2009-12-18 Release date: 2010-02-09 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
3L40	Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains Descriptor: BRCT-containing protein 1 Authors: Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. Deposit date: 2009-12-18 Release date: 2010-02-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.55 Å) Cite: gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
6AOW	Crystal structure of lectin domain of F9 pilus adhesin FmlH from E. coli UTI89 Descriptor: F9 pilus adhesin FmlH, SULFATE ION Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-16 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARN	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG) Descriptor: 2-methoxyphenyl beta-D-galactopyranoside, Putative Fml fimbrial adhesin FmlD, SULFATE ION Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-22 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AOY	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG) Descriptor: 2-nitrophenyl beta-D-galactopyranoside, Fml fimbrial adhesin FmlD, SULFATE ION Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-16 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARO	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside Descriptor: 8-hydroxyquinoline beta-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-23 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARM	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG) Descriptor: 2-nitrophenyl beta-D-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-22 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AOX	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with TF antigen Descriptor: Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-16 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AS8	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside Descriptor: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside Authors: Kalas, V, Hultgren, S.J. Deposit date: 2017-08-23 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.101 Å) Cite: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6NZV	Crystal structure of HCV NS3/4A protease in complex with compound 12 Descriptor: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... Authors: Appleby, T.C, Taylor, J.G. Deposit date: 2019-02-14 Release date: 2019-07-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
6NZT	Crystal structure of HCV NS3/4A protease in complex with voxilaprevir Descriptor: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ... Authors: Appleby, T.C, Taylor, J.G. Deposit date: 2019-02-14 Release date: 2019-07-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
1QHI	HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE Descriptor: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION Authors: Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. Deposit date: 1999-05-12 Release date: 1999-07-09 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999
2KI5	HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION Descriptor: 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION Authors: Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. Deposit date: 1999-02-12 Release date: 1999-03-04 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999
3LTW	The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine Descriptor: 1-hydrazinophthalazine, Arylamine N-acetyltransferase Nat, FORMIC ACID Authors: Abuhammad, A.M, Lowe, E.D, Fullam, E, Noble, M, Garman, E.F, Sim, E. Deposit date: 2010-02-16 Release date: 2010-07-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Probing the architecture of the Mycobacterium marinum arylamine N-acetyltransferase active site Protein Cell, 1, 2010
6WNK	Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome Descriptor: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ... Authors: Hsu, H.C, Li, H. Deposit date: 2020-04-22 Release date: 2021-04-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J.Med.Chem., 64, 2021
2CK1	The structure of oxidised cyclophilin A from s. mansoni Descriptor: ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E Authors: Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. Deposit date: 2006-04-10 Release date: 2007-05-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Three-Dimensional Structure of Two Redox States of Cyclophilin-A from Schistosoma Mansoni: Evidence for Redox- Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity. J.Biol.Chem., 282, 2007
2CMT	The structure of reduced cyclophilin A from s. mansoni Descriptor: ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E Authors: Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. Deposit date: 2006-05-12 Release date: 2007-05-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The Three-Dimensional Structure of Two Redox States of Cyclophilin a from Schistosoma Mansoni. Evidence for Redox Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity. J.Biol.Chem., 282, 2007
1U62	NMR structure analysis of the lactoferrin-based peptide FQWQRNIRKVR in complex with lipopolysaccharide Descriptor: lactoferrin-based peptide Authors: Japelj, B, Pristovsek, P, Majerle, A, Jerala, R. Deposit date: 2004-07-29 Release date: 2005-03-22 Last modified: 2020-06-24 Method: SOLUTION NMR Cite: Structural Origin of Endotoxin Neutralization and Antimicrobial Activity of a Lactoferrin-based Peptide J.Biol.Chem., 280, 2005
2BOA	Human procarboxypeptidase A4. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE A4, ... Authors: Garcia-Castellanos, R, Bonet-Figueredo, R, Pallares, I, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Ruth, F.X. Deposit date: 2005-04-08 Release date: 2005-12-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Detailed Molecular Comparison between the Inhibition Mode of A/B-Type Carboxypeptidases in the Zymogen State and by the Endogenous Inhibitor Latexin. Cell.Mol.Life Sci., 62, 2005
6NRP	Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii Descriptor: 3-oxoacyl-ACP reductase FabG Authors: Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K. Deposit date: 2019-01-23 Release date: 2019-02-27 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases. Sci Rep, 11, 2021
1XV4	Solution structure of antimicrobial and endotoxin-neutralizing peptide Lf11 in SDS micelles Descriptor: lactoferrin-based synthetic peptide FQWQRNIRKVR Authors: Japelj, B, Pristovsek, P, Majerle, A, Jerala, R. Deposit date: 2004-10-27 Release date: 2005-03-22 Last modified: 2020-06-24 Method: SOLUTION NMR Cite: Structural origin of endotoxin neutralization and antimicrobial activity of a lactoferrin-based peptide J.Biol.Chem., 280, 2005
1XV7	Solution structure of antimicrobial and endotoxin-neutralizing peptide Lf11 in DPC micelles Descriptor: lactoferrin-based synthetic peptide FQWQRNIRKVR Authors: Japelj, B, Pristovsek, P, Majerle, A, Jerala, R. Deposit date: 2004-10-27 Release date: 2005-03-22 Last modified: 2020-06-24 Method: SOLUTION NMR Cite: Structural origin of endotoxin neutralization and antimicrobial activity of a lactoferrin-based peptide J.Biol.Chem., 280, 2005
6UDS	Crystal structure of a putative 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase Authors: Forwood, J.K, Cross, E.M. Deposit date: 2019-09-19 Release date: 2019-10-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases. Sci Rep, 11, 2021
7RD0	Crystal structure of C. difficile penicillin-binding protein 3 in apo form Descriptor: GLYCEROL, Penicillin-binding protein, ZINC ION Authors: Sacco, M, Chen, Y. Deposit date: 2021-07-08 Release date: 2022-03-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022

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