PDB: 10530 resultsInfo pagesStatus searchChemie searchBIRD

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7AVC	DoBi scaffold based on PIH1D1 N-terminal domain Descriptor: GLYCEROL, PIH1 domain-containing protein 1, SODIUM ION Authors: Kolenko, P, Pham, N.P, Pavlicek, J, Mikulecky, P, Schneider, B. Deposit date: 2020-11-05 Release date: 2021-02-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution. Viruses, 13, 2021
7PJD	The X-ray structure of juvenile hormone diol kinase from the silk worm Bombyx mori. Descriptor: CALCIUM ION, Juvenile hormone diol kinase Authors: Guo, J, Cooper, J, Keegan, R.M. Deposit date: 2021-08-23 Release date: 2021-12-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.99 Å) Cite: The X-ray structure of juvenile hormone diol kinase from the silkworm Bombyx mori. Acta Crystallogr.,Sect.F, 77, 2021
7ALM	Crystal structure of human GDAP1 at 2.8 Angstrom resolution. Descriptor: Ganglioside-induced differentiation-associated protein 1 Authors: Nguyen, G.T.T, Sutinen, A, Raasakka, A, Kursula, P. Deposit date: 2020-10-06 Release date: 2021-02-24 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations. Front Mol Biosci, 7, 2020
5M5D	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... Authors: Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. Deposit date: 2016-10-21 Release date: 2017-01-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
6M6Y	Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP Descriptor: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... Authors: Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. Deposit date: 2020-03-16 Release date: 2020-10-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
6M72	Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP Descriptor: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ... Authors: Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. Deposit date: 2020-03-16 Release date: 2020-10-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
6EZN	Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. Deposit date: 2017-11-16 Release date: 2018-01-17 Last modified: 2022-12-07 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase. Nat Commun, 13, 2022
5MC8	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... Authors: Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. Deposit date: 2016-11-09 Release date: 2017-01-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.18 Å) Cite: Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
7Q3Z	DNA/RNA binding protein Descriptor: SODIUM ION, Schlafen family member 5, ZINC ION Authors: Huber, E, Lammens, K. Deposit date: 2021-10-29 Release date: 2022-01-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural and biochemical characterization of human Schlafen 5. Nucleic Acids Res., 50, 2022
8P0N	Cryo EM map and model of the vaccinia RNA polymerase intermediate pre-initiation open promoter complex shallow conformation Descriptor: DNA-directed RNA polymerase 133 kDa polypeptide, DNA-directed RNA polymerase 147 kDa polypeptide, DNA-directed RNA polymerase 18 kDa subunit, ... Authors: Grimm, C, Jungwirth, S, Fischer, U. Deposit date: 2023-05-10 Release date: 2024-05-22 Method: ELECTRON MICROSCOPY (2.58 Å) Cite: Cryo EM map and model of the vaccinia RNA polymerase intermediate pre-initiation open promoter complex (CASP target) To Be Published
6F67	Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 3,4-Dihydroxybenzophenone Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, [3,4-bis(oxidanyl)phenyl]-phenyl-methanone, ... Authors: Schwartz, M, Favier, F, Didierjean, C. Deposit date: 2017-12-05 Release date: 2018-06-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.398 Å) Cite: Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
8PO2	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6XID	PCSK9(deltaCRD) in complex with cyclic peptide 51 Descriptor: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 Authors: Orth, P. Deposit date: 2020-06-19 Release date: 2020-11-18 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.482 Å) Cite: Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
8PPS	Dimeric RbdA EAL, in apo state Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ... Authors: Cordery, C.R, Maly, M, Walsh, M.A, Tews, I. Deposit date: 2023-07-08 Release date: 2024-05-15 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture To Be Published
8PO0	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.523 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6AX1	Structure of human monoacylglycerol lipase bound to a covalent inhibitor Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase Authors: Pandit, J. Deposit date: 2017-09-06 Release date: 2017-12-27 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
7Q5H	Keap1 compound complex Descriptor: (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 Authors: Johansson, P. Deposit date: 2021-11-03 Release date: 2022-03-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
6F68	Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone Descriptor: (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Schwartz, M, Favier, F, Didierjean, C. Deposit date: 2017-12-05 Release date: 2018-06-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.696 Å) Cite: Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8PO4	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R] Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ... Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.621 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8PNZ	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6YQQ	ForT-PRPP complex Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ForT-PRPP complex, ... Authors: Naismith, J.H, Gao, S. Deposit date: 2020-04-18 Release date: 2020-05-20 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Uncovering the chemistry of C-C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chem.Commun.(Camb.), 56, 2020
3WWO	S-selective hydroxynitrile lyase from Baliospermum montanum (apo1) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-hydroxynitrile lyase, CALCIUM ION Authors: Nakano, S, Dadashipour, M, Asano, Y. Deposit date: 2014-06-23 Release date: 2014-10-22 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics Biochim.Biophys.Acta, 1844, 2014
1BQ3	SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE Descriptor: INOSITOL HEXAKISPHOSPHATE, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION Authors: Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A. Deposit date: 1998-08-20 Release date: 1998-08-26 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis. J.Mol.Biol., 289, 1999

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