4CO9
 
 | | Crystal structure of kynurenine formamidase from Bacillus anthracis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... | | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | | Deposit date: | 2014-01-27 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
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4D7K
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4D7V
 | | The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa | | Descriptor: | ACETATE ION, ENDOGLUCANASE II, GLYCEROL, ... | | Authors: | Borisova, A.S, Isaksen, T, Sandgren, M, Sorlie, M, Eijsink, V.G.H, Dimarogona, M. | | Deposit date: | 2014-11-27 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity
J.Biol.Chem., 290, 2015
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4FA0
 | | Crystal structure of human AdPLA to 2.65 A resolution | | Descriptor: | Group XVI phospholipase A1/A2 | | Authors: | Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R. | | Deposit date: | 2012-05-21 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad.
J.Biol.Chem., 287, 2012
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4DIP
 | | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14 | | Descriptor: | PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase FKBP14, SODIUM ION | | Authors: | Krojer, T, Kiyani, W, Goubin, S, Muniz, J.R.C, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Oppermann, U, Zschocke, J, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14
To be Published
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5OM9
 | | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | | Deposit date: | 2017-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
ACS Med Chem Lett, 8, 2017
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4CVX
 | | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS I ALPHA CHAIN 2, SELF-PEPTIDE | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2014-03-31 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
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4CJ1
 | | Crystal structure of CelD in complex with affitin H3 | | Descriptor: | CALCIUM ION, ENDOGLUCANASE D, GLYCEROL, ... | | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins)
Plos One, 9, 2014
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4CGY
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4CJ0
 | | Crystal structure of CelD in complex with affitin E12 | | Descriptor: | CALCIUM ION, E12 AFFITIN, ENDOGLUCANASE D, ... | | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins)
Plos One, 9, 2014
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5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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4CQH
 | | Structure of Infrared Fluorescent Protein IFP2.0 | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, BACTERIOPHYTOCHROME, SODIUM ION | | Authors: | Lafaye, C, Yu, D, Noirclerc-Savoye, M, Shu, X, Royant, A. | | Deposit date: | 2014-02-17 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | An Improved Monomeric Infrared Fluorescent Protein for Neuronal and Tumour Brain Imaging.
Nat.Commun., 5, 2014
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4CNU
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4CKL
 | | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
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4CHT
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4CKP
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4CMJ
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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4CW1
 | | COMPLEX OF A B14 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B14, PEPTIDE | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2014-03-31 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
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4CYS
 | | G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid | | Descriptor: | AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ... | | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | | Deposit date: | 2014-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4D0D
 | | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE | | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B2, SLP-76 ADAPTOR PROTEIN | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2014-04-25 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
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4C35
 | | PKA-S6K1 Chimera with compound 1 (NU1085) bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4C02
 | | Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ACTIVIN RECEPTOR TYPE-1, ... | | Authors: | Williams, E, Riesebos, E, Vollmar, M, Krojer, T, Bradley, A, Shrestha, L, Kupinska, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin
Ph D Thesis
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4C93
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4C0J
 | | Crystal structure of Drosophila Miro EF hand and cGTPase domains in the apo state (Apo-MiroS) | | Descriptor: | L-HOMOSERINE, MITOCHONDRIAL RHO GTPASE, SODIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Wawrzak, Z, Chakravarthy, S, Landahl, E.C, Freymann, D.M, Rice, S.E. | | Deposit date: | 2013-08-05 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Coupling of the EF Hand and C-Terminal Gtpase Domains in the Mitochondrial Protein Miro.
Embo Rep., 14, 2013
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