PDB: 35756 resultsInfo pagesStatus searchChemie searchBIRD

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4ZW8	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... Authors: Drinkwater, N, McGowan, S. Deposit date: 2015-05-19 Release date: 2016-03-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
2YNH	HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 Descriptor: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... Authors: Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. Deposit date: 2012-10-14 Release date: 2013-01-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
4ZY0	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ... Authors: Drinkwater, N, McGowan, S. Deposit date: 2015-05-21 Release date: 2016-03-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
6JL7	crystal structure of TBC1D23 N terminal domain Descriptor: TBC1 domain family member 23 Authors: Sun, Q, Hu, W, Jia, D. Deposit date: 2019-03-04 Release date: 2020-03-04 Last modified: 2021-09-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of TBC1D23 N-terminus reveals a novel role for rhodanese domain. Plos Biol., 18, 2020
4EMS	Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum Descriptor: Coniferyl alcohol 9-O-methyltransferase, GLYCEROL Authors: Wolters, S, Heine, A, Petersen, M. Deposit date: 2012-04-12 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7534 Å) Cite: Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment. Acta Crystallogr.,Sect.D, 69, 2013
7BSL	Crystal Structure of human ME2 R67A mutant Descriptor: NAD-dependent malic enzyme, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. Deposit date: 2020-03-30 Release date: 2021-02-10 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
5A5X	Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F Authors: Dominguez-Gil, T, Acebron, I, Hermoso, J.A. Deposit date: 2015-06-23 Release date: 2016-10-12 Last modified: 2017-03-22 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
5XIX	The canonical domain of human asparaginyl-tRNA synthetase Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL Authors: Park, J.S, Han, B.W. Deposit date: 2017-04-28 Release date: 2018-05-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Unique N-terminal extension domain of human asparaginyl-tRNA synthetase elicits CCR3-mediated chemokine activity. Int. J. Biol. Macromol., 120, 2018
4E6S	Crystal structure of the SCAN domain from mouse Zfp206 Descriptor: Zinc finger and SCAN domain-containing protein 10 Authors: Liang, Y, Choo, S.H, Rossbach, M, Baburajendran, N, Palasingam, P, Kolatkar, P.R. Deposit date: 2012-03-15 Release date: 2012-05-02 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206. Acta Crystallogr.,Sect.F, 68, 2012
2OE2	MSrecA-native-low humidity 95% Descriptor: PHOSPHATE ION, Protein recA Authors: Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. Deposit date: 2006-12-28 Release date: 2007-06-19 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3.45 Å) Cite: Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
7C29	Esterase CrmE10 mutant-D178A Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Li, Z, Li, J. Deposit date: 2020-05-07 Release date: 2020-05-20 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
2YNG	HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 Descriptor: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... Authors: Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. Deposit date: 2012-10-14 Release date: 2013-01-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
2YPL	Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms Descriptor: AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... Authors: Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. Deposit date: 2012-10-30 Release date: 2012-11-28 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
2OFW	Crystal structure of the APSK domain of human PAPSS1 complexed with 2 APS molecules Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, APS kinase domain of the PAPS synthetase 1, MAGNESIUM ION Authors: Sekulic, N, Lavie, A. Deposit date: 2007-01-04 Release date: 2007-04-10 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Elucidation of the Active Conformation of the APS-Kinase Domain of Human PAPS Synthetase 1. J.Mol.Biol., 367, 2007
7BSJ	Crystal structure of human ME2 R484W Descriptor: FUMARIC ACID, MAGNESIUM ION, NAD-dependent malic enzyme, ... Authors: Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. Deposit date: 2020-03-30 Release date: 2021-02-10 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
4ZVN	Reduced quinone reductase 2 in complex with acridine orange Descriptor: ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... Authors: Leung, K.K, Shilton, B.H. Deposit date: 2015-05-18 Release date: 2016-03-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.866 Å) Cite: Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
4ZVY	Structure of human ALDH7A1 complexed with NAD+ in space group P4212 Descriptor: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Tanner, J.J. Deposit date: 2015-05-18 Release date: 2015-08-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1. Biochemistry, 54, 2015
6T95	Trypanothione Reductase from Leismania infantum in complex with 4a Descriptor: 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Carriles, A.A, Hermoso, J.A. Deposit date: 2019-10-25 Release date: 2020-11-18 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244, 2022
7BSK	Crystal structure of human ME2 R67Q mutant Descriptor: NAD-dependent malic enzyme, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. Deposit date: 2020-03-30 Release date: 2021-02-10 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
4ZX9	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Drinkwater, N, McGowan, S. Deposit date: 2015-05-20 Release date: 2016-03-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
5XQM	NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans Descriptor: Small ubiquitin-related modifier Authors: Gowda, C.M, Surana, P, Das, R. Deposit date: 2017-06-07 Release date: 2017-11-08 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Structural and functional analysis of SMO-1, the SUMO homolog in Caenorhabditis elegans PLoS ONE, 12, 2017
2OIZ	Crystal Structure of the Tryptamine-Derived (Indol-3-Acetamide)-TTQ Adduct of Aromatic Amine Dehydrogenase Descriptor: 2-(1H-INDOL-3-YL)ACETAMIDE, Aromatic amine dehydrogenase, large subunit, ... Authors: Roujeinikova, A, Leys, D. Deposit date: 2007-01-12 Release date: 2007-04-24 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.05 Å) Cite: New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. J.Biol.Chem., 282, 2007
2CNW	GDPALF4 complex of the SRP GTPases Ffh and FtsY Descriptor: CELL DIVISION PROTEIN FTSY, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, ... Authors: Focia, P.J, Gawronski-Salerno, J, Coon V, J.S, Freymann, D.M. Deposit date: 2006-05-24 Release date: 2006-10-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Structure of a Gdp:Alf(4) Complex of the Srp Gtpases Ffh and Ftsy, and Identification of a Peripheral Nucleotide Interaction Site. J.Mol.Biol., 360, 2006
2NRC	C28A Mutant of Succinyl-CoA:3-Ketoacid CoA Transferase from Pig Heart Descriptor: Succinyl-CoA:3-ketoacid-coenzyme A transferase 1 Authors: Tammam, S.D, Fraser, M.E. Deposit date: 2006-11-01 Release date: 2007-09-18 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Identification of the Cysteine Residue Exposed by the Conformational Change in Pig Heart Succinyl-CoA:3-Ketoacid Coenzyme A Transferase on Binding Coenzyme A. Biochemistry, 46, 2007
6T97	Trypanothione Reductase from Leismania infantum in complex with TRL190 Descriptor: 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... Authors: Carriles, A, Hermoso, J.A. Deposit date: 2019-10-26 Release date: 2020-11-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published

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