6GN8
 
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6HZU
 | | HUMAN JAK1 IN COMPLEX WITH LASW1393 | | Descriptor: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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6GNJ
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6FVR
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2WHG
 | | Crystal Structure of the Di-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa | | Descriptor: | CITRATE ANION, VIM-4 METALLO-BETA-LACTAMASE, ZINC ION | | Authors: | Lassaux, P, Traore, D.A.K, Galleni, M, Ferrer, J.L. | | Deposit date: | 2009-05-05 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical and Structural Characterization of the Subclass B1 Metallo-{Beta}-Lactamase Vim-4.
Antimicrob.Agents Chemother., 55, 2011
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1N1X
 | | Crystal Structure Analysis of the monomeric [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] Bovine seminal ribonuclease | | Descriptor: | Ribonuclease, seminal | | Authors: | Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L. | | Deposit date: | 2002-10-21 | | Release date: | 2003-08-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative
Proteins, 52, 2003
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2V5V
 | | W57E Flavodoxin from Anabaena | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, MAGNESIUM ION | | Authors: | Herguedas, B, Martinez-Julvez, M, Perez-Dorado, I, Goni, G, Medina, M, Hermoso, J.A. | | Deposit date: | 2007-07-10 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin.
Arch.Biochem.Biophys., 467, 2007
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5TEX
 | | Pim-1 kinase in complex with a 7-azaindole | | Descriptor: | (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | | Authors: | Mechin, I, Wang, R, Batchelor, J.D, McLean, L. | | Deposit date: | 2016-09-23 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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3LSV
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5TEL
 | | Pim-1 kinase in complex with a 7-azaindole | | Descriptor: | 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | | Authors: | Mechin, I, Wang, R, Batchelor, J.D. | | Deposit date: | 2016-09-22 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.214 Å) | | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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5TUR
 | | Pim-1 kinase in complex with a 7-azaindole | | Descriptor: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | | Authors: | Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L. | | Deposit date: | 2016-11-07 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.948 Å) | | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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5TOE
 | | Pim-1 kinase in complex with a 7-azaindole | | Descriptor: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | | Authors: | Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D. | | Deposit date: | 2016-10-17 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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3UPY
 | | Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | | Descriptor: | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase | | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | | Deposit date: | 2011-11-18 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis.
J.Biol.Chem., 287, 2012
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3HHC
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3HAE
 | | Rational development of high-affinity T-cell receptor-like antibodies | | Descriptor: | Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ... | | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E. | | Deposit date: | 2009-05-01 | | Release date: | 2009-05-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rational development of high-affinity T-cell receptor-like antibodies
Proc.Natl.Acad.Sci.USA, 106, 2009
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1PNE
 | | CRYSTALLIZATION AND STRUCTURE DETERMINATION OF BOVINE PROFILIN AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | PROFILIN | | Authors: | Cedergren-Zeppezauer, E.S, Goonesekere, N.C.W, Rozycki, M.D, Myslik, J.C, Dauter, Z, Lindberg, U, Schutt, C.E. | | Deposit date: | 1995-05-05 | | Release date: | 1995-07-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallization and structure determination of bovine profilin at 2.0 A resolution.
J.Mol.Biol., 240, 1994
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3UPL
 | | Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | | Descriptor: | GLYCEROL, MAGNESIUM ION, Oxidoreductase | | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | | Deposit date: | 2011-11-18 | | Release date: | 2012-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis.
J.Biol.Chem., 287, 2012
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3RCJ
 | | Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling TMS-deprotection CuAAC sequence | | Descriptor: | 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, 3-phosphoinositide-dependent protein kinase 1 | | Authors: | Graedler, U, Dorsch, D, Merkul, E, Klukas, F, Sirrenberg, C, Greiner, H.E, Mueller, T.J.J. | | Deposit date: | 2011-03-31 | | Release date: | 2011-06-15 | | Last modified: | 2012-12-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling-TMS-deprotection-CuAAC sequence.
Org.Biomol.Chem., 9, 2011
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1S1N
 | | SH3 domain of human nephrocystin | | Descriptor: | Nephrocystin 1 | | Authors: | Le Maire, A, Weber, T, Saunier, S, Antignac, C, Ducruix, A, Dardel, F. | | Deposit date: | 2004-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the SH3 domain of human nephrocystin and analysis of a mutation-causing juvenile nephronophthisis.
Proteins, 59, 2005
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1QOB
 | | FERREDOXIN MUTATION D62K | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN, SULFATE ION | | Authors: | Holden, H.M, Benning, M.M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
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1QOG
 | | FERREDOXIN MUTATION S47A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN, SULFATE ION | | Authors: | Holden, H.M, Benning, M.M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
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1QOF
 | | FERREDOXIN MUTATION Q70K | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN, SULFATE ION | | Authors: | Holden, H.M, Benning, M.M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
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5U2M
 | | Crystal structure of human NAMPT with A-1293201 | | Descriptor: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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5U2N
 | | Crystal structure of human NAMPT with A-1326133 | | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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2I6U
 | | Crystal Structure of Ornithine Carbamoyltransferase complexed with Carbamoyl Phosphate and L-Norvaline from Mycobacterium tuberculosis (Rv1656) at 2.2 A | | Descriptor: | NORVALINE, Ornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Sankaranarayanan, R, Moradian, F, Cherney, L.T, Garen, C, Cherney, M.M, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-08-29 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of ornithine carbamoyltransferase from Mycobacterium tuberculosis and its ternary complex with carbamoyl phosphate and L-norvaline reveal the enzyme's catalytic mechanism
J.Mol.Biol., 375, 2008
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