6FSF
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![BU of 6fsf by Molmil](/molmil-images/mine/6fsf) | Crystal structure of the tandem PX-PH-domains of Bem3 from Saccharomyces cerevisiae | Descriptor: | GTPase-activating protein BEM3 | Authors: | Ali, I, Eu, S, Koch, D, Bleimling, N, Goody, R.S, Mueller, M.P. | Deposit date: | 2018-02-19 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the tandem PX-PH domains of Bem3 from Saccharomyces cerevisiae. Acta Crystallogr F Struct Biol Commun, 74, 2018
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8A01
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6FSL
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1SQS
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![BU of 1sqs by Molmil](/molmil-images/mine/1sqs) | X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27. | Descriptor: | L(+)-TARTARIC ACID, conserved hypothetical protein | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-03-19 | Release date: | 2004-03-30 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM, 8, 2007
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4IJP
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![BU of 4ijp by Molmil](/molmil-images/mine/4ijp) | Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | Descriptor: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-22 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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8A03
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3OPD
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![BU of 3opd by Molmil](/molmil-images/mine/3opd) | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative | Descriptor: | 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83 | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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5UFY
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![BU of 5ufy by Molmil](/molmil-images/mine/5ufy) | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | Descriptor: | Acyltransferase, SODIUM ION | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-01-06 | Release date: | 2017-10-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA). PLoS Pathog., 13, 2017
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5UG7
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![BU of 5ug7 by Molmil](/molmil-images/mine/5ug7) | Calcium bound Perforin C2 Domain - T431D | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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5YIC
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![BU of 5yic by Molmil](/molmil-images/mine/5yic) | Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum | Descriptor: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | Deposit date: | 2017-10-03 | Release date: | 2018-07-11 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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6FZM
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![BU of 6fzm by Molmil](/molmil-images/mine/6fzm) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | Descriptor: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | Deposit date: | 2018-03-15 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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4IFA
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![BU of 4ifa by Molmil](/molmil-images/mine/4ifa) | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Shatsman, S, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-14 | Release date: | 2012-12-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames To be Published
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4IGV
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![BU of 4igv by Molmil](/molmil-images/mine/4igv) | Crystal structure of kirola (Act d 11) | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4F21
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![BU of 4f21 by Molmil](/molmil-images/mine/4f21) | Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | Descriptor: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | Authors: | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-07 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis. J.Biol.Chem., 288, 2013
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1SO4
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![BU of 1so4 by Molmil](/molmil-images/mine/1so4) | Crystal structure of K64A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-03-12 | Release date: | 2004-06-08 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,) Biochemistry, 43, 2004
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6GBR
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![BU of 6gbr by Molmil](/molmil-images/mine/6gbr) | Crystal Structure of the oligomerization domain of VP35 from Reston virus, mercury derivative | Descriptor: | MERCURIBENZOIC ACID, Polymerase cofactor VP35 | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | Deposit date: | 2018-04-16 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019
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4IEF
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![BU of 4ief by Molmil](/molmil-images/mine/4ief) | Complex of Porphyromonas gingivalis RgpB pro- and mature domains | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, CALCIUM ION, ... | Authors: | de Diego, I, Veillard, F.T, Guevara, T, Potempa, B, Sztukowska, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2012-12-13 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Porphyromonas gingivalis Virulence Factor Gingipain RgpB Shows a Unique Zymogenic Mechanism for Cysteine Peptidases. J.Biol.Chem., 288, 2013
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4IH0
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![BU of 4ih0 by Molmil](/molmil-images/mine/4ih0) | Crystal structure of kirola (Act d 11) from crystal soaked with serotonin | Descriptor: | CHLORIDE ION, Kirola, MAGNESIUM ION, ... | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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3H67
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![BU of 3h67 by Molmil](/molmil-images/mine/3h67) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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1SJH
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![BU of 1sjh by Molmil](/molmil-images/mine/1sjh) | HLA-DR1 complexed with a 13 residue HIV capsid peptide | Descriptor: | Enterotoxin type C-3, GAG polyprotein, HLA class II histocompatibility antigen, ... | Authors: | Zavala-Ruiz, Z, Strug, I, Walker, B.D, Norris, P.J, Stern, L.J. | Deposit date: | 2004-03-03 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A hairpin turn in a class II MHC-bound peptide orients residues outside the binding groove for T cell recognition. Proc.Natl.Acad.Sci.Usa, 101, 2004
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5JXP
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![BU of 5jxp by Molmil](/molmil-images/mine/5jxp) | Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | Deposit date: | 2016-05-13 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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7KOM
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![BU of 7kom by Molmil](/molmil-images/mine/7kom) | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6 | Descriptor: | FORMIC ACID, Oxidored_molyb domain-containing protein, SODIUM ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2021-11-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6. To Be Published
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3PA2
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![BU of 3pa2 by Molmil](/molmil-images/mine/3pa2) | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type Ley | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ... | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | Deposit date: | 2010-10-18 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability. J.Virol., 85, 2011
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1SLT
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1SMB
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![BU of 1smb by Molmil](/molmil-images/mine/1smb) | Crystal Structure of Golgi-Associated PR-1 protein | Descriptor: | 17kD fetal brain protein | Authors: | Serrano, R.L, Kuhn, A, Hendricks, A, Helms, J.B, Sinning, I, Groves, M.R. | Deposit date: | 2004-03-08 | Release date: | 2004-09-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural analysis of the human Golgi-associated plant pathogenesis related protein GAPR-1 implicates dimerization as a regulatory mechanism J.Mol.Biol., 339, 2004
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