PDB: 2561 resultsInfo pagesStatus searchChemie searchBIRD

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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
5I6I	Crystal structure of a dBCCP-variant of Chaetomium thermophilum acetyl-CoA carboxylase Descriptor: Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein Authors: Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. Deposit date: 2016-02-16 Release date: 2016-04-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (8.4 Å) Cite: The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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
7Y04	Hsp90-AhR-p23 complex Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... Authors: Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. Deposit date: 2022-06-03 Release date: 2023-01-04 Last modified: 2024-07-03 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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
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
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
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
5FWK	Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... Authors: Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. Deposit date: 2016-02-17 Release date: 2016-07-06 Last modified: 2019-08-21 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
5FWP	Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... Authors: Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. Deposit date: 2016-02-18 Release date: 2016-10-26 Last modified: 2019-12-18 Method: ELECTRON MICROSCOPY (7.2 Å) Cite: Atomic Structure of Hsp90:Cdc37:Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
1ASY	CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP Descriptor: ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) Authors: Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D. Deposit date: 1995-01-19 Release date: 1995-05-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp). Science, 252, 1991
5FWL	Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... Authors: Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. Deposit date: 2016-02-18 Release date: 2016-07-06 Last modified: 2019-10-23 Method: ELECTRON MICROSCOPY (9 Å) Cite: Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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
5FWM	Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... Authors: Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. Deposit date: 2016-02-18 Release date: 2016-07-06 Last modified: 2019-10-23 Method: ELECTRON MICROSCOPY (8 Å) Cite: Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
6NVD	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9 Descriptor: 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION Authors: Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. Deposit date: 2019-02-05 Release date: 2020-02-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9 To Be Published
6NKA	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine Descriptor: 2'-DEOXYCYTIDINE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION Authors: Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. Deposit date: 2019-01-07 Release date: 2020-01-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine To Be Published
6CVE	Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid Descriptor: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ... Authors: Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. Deposit date: 2018-03-28 Release date: 2018-11-21 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
4RV7	Characterization of an essential diadenylate cyclase Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ... Authors: Dickmanns, A, Neumann, P, Ficner, R. Deposit date: 2014-11-25 Release date: 2015-01-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes. J.Biol.Chem., 290, 2015
6NL5	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION Authors: Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. Deposit date: 2019-01-08 Release date: 2020-01-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.314 Å) Cite: Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate To Be Published
6JPV	Structural analysis of AIMP2-DX2 and HSP70 interaction Descriptor: Heat shock 70 kDa protein 1A,Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 Authors: Cho, H.Y, Son, S.Y, Jeon, Y.H. Deposit date: 2019-03-28 Release date: 2019-10-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.15000653 Å) Cite: Targeting the interaction of AIMP2-DX2 with HSP70 suppresses cancer development. Nat.Chem.Biol., 16, 2020
6NVF	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 Descriptor: (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... Authors: Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. Deposit date: 2019-02-05 Release date: 2020-02-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.989 Å) Cite: Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 To Be Published
6NN0	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ... Authors: Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. Deposit date: 2019-01-14 Release date: 2020-01-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.343 Å) Cite: Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D To Be Published

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