2P3G
 
 | | Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 | | Descriptor: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2 | | Authors: | Kurumbail, R.G, Caspers, N. | | Deposit date: | 2007-03-08 | | Release date: | 2007-06-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007
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3ZXR
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3WO5
 | | Crystal structure of S147Q of Rv2613c from Mycobacterium tuberculosis | | Descriptor: | AP-4-A phosphorylase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Mori, S, Wachino, J, Arakawa, Y, Shibayama, K. | | Deposit date: | 2013-12-20 | | Release date: | 2014-12-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Role of Ser-147 and Ala-149 in catalytic activity of diadenosine tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv
To be Published
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3ZXV
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2OBM
 | | Structural and biochemical analysis of a prototypical ATPase from the type III secretion system of pathogenic bacteria | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, EscN | | Authors: | Zarivach, R, Vuckovic, M, Deng, W, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2006-12-19 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis of a prototypical ATPase from the type III secretion system.
Nat.Struct.Mol.Biol., 14, 2007
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4A0O
 | | Symmetry-free cryo-EM map of TRiC in the nucleotide-free (apo) state | | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | | Deposit date: | 2011-09-10 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10.5 Å) | | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
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2HQQ
 | | Crystal structure of human ketohexokinase complexed to different sugar molecules | | Descriptor: | Ketohexokinase, SULFATE ION | | Authors: | Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V. | | Deposit date: | 2006-07-19 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structures of alternatively spliced isoforms of human ketohexokinase.
Acta Crystallogr.,Sect.D, 65, 2009
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2KJE
 | | NMR structure of CBP TAZ2 and adenoviral E1A complex | | Descriptor: | CREB-binding protein, Early E1A 32 kDa protein, ZINC ION | | Authors: | Ferreon, J.C, Martinez-Yamout, M, Dyson, H, Wright, P.E. | | Deposit date: | 2009-05-27 | | Release date: | 2009-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for subversion of cellular control mechanisms by the adenoviral E1A oncoprotein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4A13
 | | model refined against symmetry-free cryo-EM map of TRiC-ADP | | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | | Deposit date: | 2011-09-13 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (11.3 Å) | | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
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2P0C
 | | Catalytic Domain of the Proto-oncogene Tyrosine-protein Kinase MER | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-28 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
J.Struct.Biol., 165, 2009
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4ACF
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) AND L-METHIONINE-S-SULFOXIMINE PHOSPHATE. | | Descriptor: | CHLORIDE ION, GLUTAMINE SYNTHETASE 1, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | | Authors: | Nilsson, M.T, Mowbray, S.L. | | Deposit date: | 2011-12-15 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors
Medchemcomm, 3, 2012
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2LGS
 | | FEEDBACK INHIBITION OF FULLY UNADENYLYLATED GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM BY GLYCINE, ALANINE, AND SERINE | | Descriptor: | GLUTAMIC ACID, GLUTAMINE SYNTHETASE, MANGANESE (II) ION | | Authors: | Liaw, S.-H, Eisenberg, D. | | Deposit date: | 1994-08-05 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Feedback inhibition of fully unadenylylated glutamine synthetase from Salmonella typhimurium by glycine, alanine, and serine.
Proc.Natl.Acad.Sci.USA, 90, 1993
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4A4L
 | | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR | | Descriptor: | 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | Authors: | Bertrand, J.A, Bossi, R.T. | | Deposit date: | 2011-10-17 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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2GS6
 | | Crystal Structure of the active EGFR kinase domain in complex with an ATP analog-peptide conjugate | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, Peptide, ... | | Authors: | Zhang, X, Gureasko, J, Shen, K, Cole, P.A, Kuriyan, J. | | Deposit date: | 2006-04-25 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An Allosteric Mechanism for Activation of the Kinase Domain of Epidermal Growth Factor Receptor
Cell(Cambridge,Mass.), 125, 2006
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2HNI
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2QUK
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2LQI
 | | NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2l3b conformation) | | Descriptor: | CREB-binding protein, Forkhead box O3 | | Authors: | Wang, F, Marshall, C.B, Yamamoto, K, Li, G.B, Gasmi-Seabrook, G.M.C, Okada, H, Mak, T.W, Ikura, M. | | Deposit date: | 2012-03-06 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8B4S
 | | Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form | | Descriptor: | BRICHOS domain-containing protein | | Authors: | Mironov, P.A, Reznikova, O.V, Paramonov, A.S, Shenkarev, Z.O. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Dimerization of the beta-Hairpin Membrane-Active Cationic Antimicrobial Peptide Capitellacin from Marine Polychaeta: An NMR Structural and Thermodynamic Study.
Biomolecules, 14, 2024
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1P9W
 | | Crystal Structure of Vibrio cholerae putative NTPase EpsE | | Descriptor: | General secretion pathway protein E, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION | | Authors: | Robien, M.A, Krumm, B.E, Sandkvist, M, Hol, W.G.J. | | Deposit date: | 2003-05-12 | | Release date: | 2003-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the extracellular protein secretion NTPase EpsE of Vibrio cholerae
J.Mol.Biol., 333, 2003
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1P9R
 | | Crystal Structure of Vibrio cholerae putative NTPase EpsE | | Descriptor: | CHLORIDE ION, General secretion pathway protein E, ZINC ION | | Authors: | Robien, M.A, Krumm, B.E, Sandkvist, M, Hol, W.G.J. | | Deposit date: | 2003-05-12 | | Release date: | 2003-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the extracellular protein secretion NTPase EpsE of Vibrio cholerae
J.Mol.Biol., 333, 2003
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6MFW
 | | Crystal structure of a 4-domain construct of LgrA in the substrate donation state | | Descriptor: | (2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, ... | | Authors: | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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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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1WYG
 | | Crystal Structure of a Rat Xanthine Dehydrogenase Triple Mutant (C535A, C992R and C1324S) | | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETIC ACID, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Hori, H, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T. | | Deposit date: | 2005-02-14 | | Release date: | 2005-05-31 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of the Conversion of Xanthine Dehydrogenase to Xanthine Oxidase: IDENTIFICATION OF THE TWO CYSTEINE DISULFIDE BONDS AND CRYSTAL STRUCTURE OF A NON-CONVERTIBLE RAT LIVER XANTHINE DEHYDROGENASE MUTANT
J.Biol.Chem., 280, 2005
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1X2H
 | | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli complexed with lipoic acid | | Descriptor: | LIPOIC ACID, Lipoate-protein ligase A | | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | | Deposit date: | 2005-04-23 | | Release date: | 2005-08-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site
J.Biol.Chem., 280, 2005
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