PDB: 98078 resultsInfo pagesStatus searchChemie searchBIRD

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4RRR	K121M mutant of N-terminal editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi with L-Thr3AA Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, Threonine--tRNA ligase Authors: Hussain, T, Kamarthapu, V, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
5T74	Human carboanhydrase F131C_C206S double mutant in complex with 14 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... Authors: DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. Deposit date: 2016-09-02 Release date: 2017-09-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.2 Å) Cite: A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
8E4O	The closed C1-state mouse TRPM8 structure in complex with putative PI(4,5)P2 Descriptor: Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate Authors: Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. Deposit date: 2022-08-18 Release date: 2022-10-26 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (3.43 Å) Cite: Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2. Science, 378, 2022
8E4N	The closed C1-state mouse TRPM8 structure in complex with PI(4,5)P2 Descriptor: Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate Authors: Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. Deposit date: 2022-08-18 Release date: 2022-10-26 Last modified: 2024-11-13 Method: ELECTRON MICROSCOPY (3.07 Å) Cite: Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2. Science, 378, 2022
8E4M	The intermediate C2-state mouse TRPM8 structure in complex with the cooling agonist C3 and PI(4,5)P2 Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... Authors: Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y. Deposit date: 2022-08-18 Release date: 2022-10-26 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (3.44 Å) Cite: Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2. Science, 378, 2022
8E9P	Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
8E9J	Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
8E9C	Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
8E9U	Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. Deposit date: 2022-08-26 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
3V80	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine Descriptor: 5'-O-prop-2-yn-1-yladenosine, CITRIC ACID, GLYCEROL, ... Authors: Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. Deposit date: 2011-12-22 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.0301 Å) Cite: Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
7MZ5	Cryo-EM structure of RTX-bound full-length TRPV1 in C2 state Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin Authors: Zhang, K, Julius, D, Cheng, Y. Deposit date: 2021-05-24 Release date: 2021-09-22 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (2.76 Å) Cite: Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
3V7W	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine Descriptor: 5'-azido-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... Authors: Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. Deposit date: 2011-12-22 Release date: 2012-03-14 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.0102 Å) Cite: Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
1RH3	DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM) Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Sawaya, M.R, Kraut, J. Deposit date: 1996-11-27 Release date: 1997-03-12 Last modified: 2024-12-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence. Biochemistry, 36, 1997
2FPI	Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol Descriptor: SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial, ... Authors: Fraser, M.E. Deposit date: 2006-01-16 Release date: 2006-02-21 Last modified: 2025-03-26 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase J.Biol.Chem., 281, 2006
3V8M	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with 5'-azido-8-bromo-5'-deoxyadenosine Descriptor: 5'-azido-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 Authors: Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. Deposit date: 2011-12-23 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
3V8Q	Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine Descriptor: 5'-amino-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... Authors: Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. Deposit date: 2011-12-23 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
3GI6	Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease Descriptor: (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease Authors: Nalam, M.N.L, Schiffer, C.A. Deposit date: 2009-03-05 Release date: 2010-03-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
8I1Y	The structure of E. coli TrpRS bound with a chemical fragment Descriptor: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.78 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
3G5Y	Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR Descriptor: 175 heavy chain, 175 light chain, EGFR peptide Authors: Garrett, T.P.J, Burgess, A.W. Deposit date: 2009-02-05 Release date: 2010-02-09 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Antibodies specifically targeting a locally misfolded region of tumor associated EGFR Proc.Natl.Acad.Sci.USA, 106, 2009
8I27	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2A	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
4RRK	Y115A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2 Authors: Ahmad, S, Muthukumar, S, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
8I1W	The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets Descriptor: SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2L	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2C	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.07 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023

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