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4RZQ	Structural Analysis of Substrate, Reaction Intermediate and Product Binding in Haemophilus influenzae Biotin Carboxylase Descriptor: ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate Authors: Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R, Waldrop, G.L. Deposit date: 2014-12-23 Release date: 2015-06-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
2V59	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2 Descriptor: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2V58	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 Descriptor: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3 Descriptor: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.31 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2W6Z	Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment Descriptor: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6O	Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment Descriptor: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6P	Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6M	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6N	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
1KEE	Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthetase large chain, ... Authors: Miles, B.W, Thoden, J.B, Holden, H.M, Raushel, F.M. Deposit date: 2001-11-15 Release date: 2001-12-21 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Inactivation of the amidotransferase activity of carbamoyl phosphate synthetase by the antibiotic acivicin. J.Biol.Chem., 277, 2002
6LTV	Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) Descriptor: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... Authors: Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. Deposit date: 2020-01-23 Release date: 2020-10-21 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
3ZFH	Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase Descriptor: CHLORIDE ION, INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE Authors: Rao, V.A, Shepherd, S.M, Owen, R, Hunter, W.N. Deposit date: 2012-12-11 Release date: 2013-01-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structure of Pseudomonas Aeruginosa Inosine 5'-Monophosphate Dehydrogenase Acta Crystallogr.,Sect.F, 69, 2013
6LTW	Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis Descriptor: MAGNESIUM ION, PHOSPHATE ION, S-adenosylmethionine synthase Authors: Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. Deposit date: 2020-01-23 Release date: 2020-10-21 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
3L1S	3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3 Descriptor: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION Authors: Haar, T.E. Deposit date: 2009-12-14 Release date: 2010-03-02 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: 3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta. Bioorg.Med.Chem.Lett., 20, 2010
2VQD	Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP Descriptor: BIOTIN CARBOXYLASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... Authors: Mochalkin, I. Deposit date: 2008-03-13 Release date: 2008-09-09 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase. Protein Sci., 17, 2008
5T3O	Crystal structure of the Phosphorybosylpyrophosphate synthetase II from Thermus thermophilus Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION Authors: Timofeev, V.I, Sinitsyna, E.V, Abramchik, Y.A, Kostromina, M.A, Esipov, R.S, Kuranova, I.P. Deposit date: 2016-08-26 Release date: 2017-06-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of recombinant phosphoribosylpyrophosphate synthetase 2 from Thermus thermophilus HB27 complexed with ADP and sulfate ions. Acta Crystallogr F Struct Biol Commun, 73, 2017
2W6Q	Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W71	Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W70	Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
3I4B	Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor Descriptor: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Authors: Ter Haar, E. Deposit date: 2009-07-01 Release date: 2010-01-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
8EZA	NHEJ Long-range complex with PAXX Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... Authors: Chen, S, He, Y. Deposit date: 2022-10-31 Release date: 2023-06-14 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (4.39 Å) Cite: Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
4NM5	Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ... Authors: Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. Deposit date: 2013-11-14 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
8GFT	Hsp90 provides platform for CRaf dephosphorylation by PP5 Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... Authors: Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. Deposit date: 2023-03-08 Release date: 2023-05-03 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Hsp90 provides a platform for kinase dephosphorylation by PP5. Nat Commun, 14, 2023
7QNZ	human Lig1-DNA-PCNA complex reconstituted in absence of ATP Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ... Authors: Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. Deposit date: 2021-12-23 Release date: 2023-01-11 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (4.58 Å) Cite: Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
4NM7	Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... Authors: Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. Deposit date: 2013-11-14 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014

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