6FDU
 
 | | Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 3 | | Descriptor: | (2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide, CHLORIDE ION, Deubiquitinase and deneddylase Dub1 | | Authors: | Ramirez, Y, Kisker, C, Altmann, E. | | Deposit date: | 2017-12-26 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis.
ChemMedChem, 13, 2018
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6TH1
 | | IE1 from rat cytomegalovirus | | Descriptor: | Immediate early protein 1 | | Authors: | Schweininger, J, Muller, Y.A. | | Deposit date: | 2019-11-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers.
Plos Pathog., 17, 2021
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8URL
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8UL7
 | | The structure of NanH in complex with Neu5Ac | | Descriptor: | 1,2-ETHANEDIOL, N-acetyl-alpha-neuraminic acid, Sialidase | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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8ULE
 | | The structure of NanH in complex with Neu5,9Ac | | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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8UM0
 | | The structure of NanH in complex with Neu5,7,9Ac(2,6)-LAcNAc | | Descriptor: | 1,2-ETHANEDIOL, 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase, ... | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-10-17 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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6FDQ
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6JWC
 | | Mouse antibody 2B5 Fab in complex with PEG | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ... | | Authors: | Lee, C.C, Ko, T.P, Su, Y.C, Lin, L.L, Roffler, S.R, Wang, A.H.J. | | Deposit date: | 2019-04-19 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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6JP7
 | | Human antibody 32D6 Fab in complex with PEG | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-03-26 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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5I0L
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | | Descriptor: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-04 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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2UYL
 | | Crystal structure of a monoclonal antibody directed against an antigenic determinant common to Ogawa and Inaba serotypes of Vibrio cholerae O1 | | Descriptor: | MONOCLONAL ANTIBODY F-22-30 | | Authors: | Ahmed, F, Haouz, A, Nato, F, Fournier, J.M, Alzari, P.M. | | Deposit date: | 2007-04-10 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Monoclonal Antibody Directed Against an Antigenic Determinant Common to Ogawa and Inaba Serotypes of Vibrio Cholerae O1.
Proteins, 70, 2008
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2V2V
 | | IspE in complex with ligand | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-07 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
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2V2Q
 | | IspE in complex with ligand | | Descriptor: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-06 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
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7BGK
 | | Native virion of Kashmir bee virus at neutral pH | | Descriptor: | Structural polyprotein | | Authors: | Mukhamedova, L, Plevka, P, Fuzik, T, Hrebik, D, Novacek, J. | | Deposit date: | 2021-01-07 | | Release date: | 2021-03-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Virion structure and in vitro genome release mechanism of dicistrovirus Kashmir bee virus.
J.Virol., 95, 2021
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7BE9
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7BG8
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6QXB
 | | NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli | | Descriptor: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6QXC
 | | NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa. | | Descriptor: | PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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7BC3
 | | Native virion of Kashmir bee virus at acidic pH | | Descriptor: | Structural polyprotein | | Authors: | Mukhamedova, L, Plevka, P, Fuzik, T, Hrebik, D, Novacek, J. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Virion structure and in vitro genome release mechanism of dicistrovirus Kashmir bee virus.
J.Virol., 95, 2021
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7DSU
 | | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V | | Descriptor: | 1,2-ETHANEDIOL, Mbo45V, SINEFUNGIN | | Authors: | Ahmed, I, Chouhan, O.P, Gopinath, A, Morgan, R.D, Bhagat, K, Singh, A, Saikrishnan, K. | | Deposit date: | 2021-01-02 | | Release date: | 2022-01-05 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V
To Be Published
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7E4U
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2DIS
 | | Solution structure of the RRM domain of unnamed protein product | | Descriptor: | unnamed protein product | | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-03-30 | | Release date: | 2006-09-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RRM domain of unnamed protein product
To be Published
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4NEW
 | | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | Deposit date: | 2013-10-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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4NEV
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | Deposit date: | 2013-10-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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2HRC
 | | 1.7 angstrom structure of human ferrochelatase variant R115L | | Descriptor: | CHLORIDE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Medlock, A, Swartz, L, Dailey, T.A, Dailey, H.A, Lanzilotta, W.N. | | Deposit date: | 2006-07-20 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate interactions with human ferrochelatase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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