PDB: 54296 resultsInfo pagesStatus searchChemie searchBIRD

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4Q4H	TM287/288 in its apo state Descriptor: ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 Authors: Hohl, M, Gruetter, M.G, Seeger, M.A. Deposit date: 2014-04-14 Release date: 2014-07-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.527 Å) Cite: Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Proc.Natl.Acad.Sci.USA, 111, 2014
5GW5	Structure of TRiC-AMP-PNP Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... Authors: Zang, Y, Jin, M, Wang, H, Cong, Y. Deposit date: 2016-09-08 Release date: 2016-10-26 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (4.6 Å) Cite: Staggered ATP binding mechanism of eukaryotic chaperonin TRiC (CCT) revealed through high-resolution cryo-EM. Nat. Struct. Mol. Biol., 23, 2016
8OXP	ATM(Q2971A) in complex with Mg AMP-PNP Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... Authors: Howes, A.C, Perisic, O, Williams, R.L. Deposit date: 2023-05-02 Release date: 2023-09-27 Last modified: 2023-10-11 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
8OXM	ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Howes, A.C, Perisic, O, Williams, R.L. Deposit date: 2023-05-02 Release date: 2023-09-27 Last modified: 2023-10-11 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
5ZZM	E. coli 50S subunit bound HflX protein in presence of ATP (AMP-PNP) and GTP (GMP-PNP) analogs. Descriptor: 23S rRNA, 5S rRNA, GTPase HflX Authors: Dey, S. Deposit date: 2018-06-03 Release date: 2018-06-27 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (8.1 Å) Cite: The universally conserved GTPase HflX is an RNA helicase that restores heat-damagedEscherichia coliribosomes. J. Cell Biol., 217, 2018
6B42	Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 Authors: Maize, K.M, Finzel, B.C. Deposit date: 2017-09-25 Release date: 2017-10-18 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.13 Å) Cite: A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
1D2N	D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN Descriptor: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ... Authors: Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I. Deposit date: 1998-06-30 Release date: 1998-10-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein. Cell(Cambridge,Mass.), 94, 1998
6KSD	Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, SULFATE ION Authors: Ramachandran, R, Shukla, A, Afsar, M. Deposit date: 2019-08-23 Release date: 2020-08-26 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
2BWJ	Structure of adenylate kinase 5 Descriptor: ADENOSINE MONOPHOSPHATE, ADENYLATE KINASE 5, CHLORIDE ION, ... Authors: Bunkoczi, G, Filippakopoulos, P, Fedorov, O, Jansson, A, Longman, E, Ugochukwu, E, Knapp, S, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J. Deposit date: 2005-07-14 Release date: 2005-07-21 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of Adenylate Kinase 5 To be Published
2AKY	HIGH-RESOLUTION STRUCTURES OF ADENYLATE KINASE FROM YEAST LIGATED WITH INHIBITOR AP5A, SHOWING THE PATHWAY OF PHOSPHORYL TRANSFER Descriptor: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION Authors: Abele, U, Schulz, G.E. Deposit date: 1995-07-28 Release date: 1995-11-14 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.96 Å) Cite: High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer. Protein Sci., 4, 1995
3SHG	VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin Descriptor: L(+)-TARTARIC ACID, VbhA, VbhT Authors: Goepfert, A, Schirmer, T. Deposit date: 2011-06-16 Release date: 2012-01-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins. Nature, 482, 2012
3QI4	Crystal structure of PDE9A(Q453E) in complex with IBMX Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... Authors: Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. Deposit date: 2011-01-26 Release date: 2011-04-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
2UW6	Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine Descriptor: (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. Deposit date: 2007-03-19 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
2UVZ	Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine Descriptor: (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. Deposit date: 2007-03-15 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
2UW8	Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine Descriptor: (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. Deposit date: 2007-03-19 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
2UVX	Structure of PKA-PKB chimera complexed with 7-azaindole Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. Deposit date: 2007-03-15 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
5V4L	Cryptococcus neoformans adenylosuccinate lyase Descriptor: Adenylosuccinate lyase Authors: Chitty, J, Williams, S.J, Kobe, B, Fraser, J.A. Deposit date: 2017-03-09 Release date: 2017-06-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Cryptococcus neoformans ADS lyase is an enzyme essential for virulence whose crystal structure reveals features exploitable in antifungal drug design. J. Biol. Chem., 292, 2017
3CW8	4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate Descriptor: 1,2-ETHANEDIOL, 4-chlorobenzoyl CoA ligase, 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine Authors: Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. Deposit date: 2008-04-21 Release date: 2008-09-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. Biochemistry, 47, 2008
3QI3	Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 Descriptor: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... Authors: Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. Deposit date: 2011-01-26 Release date: 2011-04-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
2VO3	Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Descriptor: 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. Deposit date: 2008-02-08 Release date: 2008-04-08 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
2VO0	Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ... Authors: Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. Deposit date: 2008-02-08 Release date: 2008-04-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
2VNY	Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine Descriptor: 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. Deposit date: 2008-02-08 Release date: 2008-04-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
3KN5	Crystal structure of the C-terminal kinase domain of msk1 in complex with AMP-PNP Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-5 Authors: D'Angelo, I, Malakhova, M, Dong, Z. Deposit date: 2009-11-12 Release date: 2010-04-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The crystal structure of the active form of the C-terminal kinase domain of mitogen- and stress-activated protein kinase 1. J.Mol.Biol., 399, 2010
1ZXM	Human Topo IIa ATPase/AMP-PNP Descriptor: DNA topoisomerase II, alpha isozyme, MAGNESIUM ION, ... Authors: Wei, H, Ruthenburg, A.J, Bechis, S.K, Verdine, G.L. Deposit date: 2005-06-08 Release date: 2005-08-23 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Nucleotide-dependent Domain Movement in the ATPase Domain of a Human Type IIA DNA Topoisomerase. J.Biol.Chem., 280, 2005
5FOM	Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION Authors: Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. Deposit date: 2015-11-24 Release date: 2016-08-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016

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