PDB: 31489 resultsInfo pagesStatus searchChemie searchBIRD

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8B1O	Crystal structure of SUDV VP40 C314S mutant Descriptor: Matrix protein VP40 Authors: Werner, A.-D, Becker, S. Deposit date: 2022-09-11 Release date: 2023-06-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
6DMV	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked for 40 s in 2 mM Mg2+ and 200 mM K+ at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-05 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8BS9	Structure of USP36 in complex with Ubiquitin-PA Descriptor: Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ... Authors: O'Dea, R, Gersch, M. Deposit date: 2022-11-24 Release date: 2023-07-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36. Nat.Chem.Biol., 19, 2023
8B78	KRasG12C ligand complex Descriptor: 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Phillips, C, Breed, J. Deposit date: 2022-09-29 Release date: 2023-07-12 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
6HXQ	Structure of citryl-CoA synthetase from Hydrogenobacter thermophilus Descriptor: CITRATE ANION, COENZYME A, Citryl-CoA synthetase large subunit, ... Authors: Verstraete, K, Verschueren, K. Deposit date: 2018-10-17 Release date: 2019-04-10 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
7MPF	The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000986436 Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... Authors: Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. Deposit date: 2021-05-04 Release date: 2022-05-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
8U1A	De novo Design of Near Infrared Fluorescent Proteins Descriptor: Designed Near Infrared Fluorescent Protein MC7BP34 Authors: Liu, Y, Xu, C, Bera, A.K, Kang, A, Baker, D. Deposit date: 2023-08-31 Release date: 2024-09-11 Method: X-RAY DIFFRACTION (3.28 Å) Cite: De novo Design of Near Infrared Fluorescent Proteins To Be Published
8BAS	E. coli C7 DarT1 in complex with carba-NAD and DNA Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ... Authors: Schuller, M, Ariza, A. Deposit date: 2022-10-11 Release date: 2023-07-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
6HYC	The structure of full-length human phenylalanine hydroxylase in complex with the cofactor and negative regulator tetrahydrobiopterin Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, Phenylalanine-4-hydroxylase Authors: Alcorlo Pages, M, Flydal, I.M. Deposit date: 2018-10-19 Release date: 2019-06-05 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.18 Å) Cite: Structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin. Proc.Natl.Acad.Sci.USA, 116, 2019
8BAW	X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - 5-LICAM siderophore analogue complex. Descriptor: FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), Siderophore ABC transporter substrate-binding protein Authors: Blagova, E.V, Miller, A, Booth, R, Dodson, E.J, Duhme-Klair, A.K, Wilson, K.S. Deposit date: 2022-10-12 Release date: 2023-07-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.471 Å) Cite: Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
6DOA	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 480 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.474 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8BAT	Geobacter lovleyi NADAR Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR Authors: Schuller, M, Ariza, A. Deposit date: 2022-10-11 Release date: 2023-07-12 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
6DOI	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid (1.54 Angstrom wavelength): Soak in 0.5 mM EGTA and 200 mM K+ at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.948 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7MKV	Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine Descriptor: Cysteine desulfurase-like protein ustD Authors: Ellis, J.M, Buller, A.R, Bingman, C.A. Deposit date: 2021-04-27 Release date: 2022-05-04 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Biocatalytic synthesis of non-standard amino acids by a decarboxylative aldol reaction Nat Catal, 5, 2022
6DOQ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C (dataset 2) Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.422 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8TX9	Nan Regulatory Protein (core isomerase domain) from Streptococcus pneumoniae Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, MurR/RpiR family transcriptional regulator, SODIUM ION Authors: Wood, D.M, Horne, C.R, Panjikar, S, Dobson, R.C.J. Deposit date: 2023-08-23 Release date: 2024-09-11 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Structure of isomerase domain of the nan-regulatory protein (NanR) from Streptococcus pneumoniae To Be Published
8BTV	Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... Authors: Chikunova, A, Bruenle, S, Ubbink, M. Deposit date: 2022-12-02 Release date: 2023-07-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis. Febs J., 290, 2023
6DP5	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 40 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.432 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7MCI	MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... Authors: Kang, W, Lee, C, Hu, Y, Ribbe, M.W. Deposit date: 2021-04-02 Release date: 2022-05-18 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor Nat Catal, 5, 2022
6DWN	Structure of Human Cytochrome P450 1A1 with Erlotinib Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Bart, A.G, Scott, E.E. Deposit date: 2018-06-26 Release date: 2018-10-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3 Å) Cite: Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
8BF6	X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex Descriptor: ABC transporter, Azotochelin, FE (III) ION, ... Authors: Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J. Deposit date: 2022-10-24 Release date: 2023-07-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.969 Å) Cite: Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
6DPG	Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 240 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8BS3	Structure of USP36 in complex with Fubi-PA Descriptor: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ... Authors: O'Dea, R, Gersch, M. Deposit date: 2022-11-24 Release date: 2023-07-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36. Nat.Chem.Biol., 19, 2023
6I0B	Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. Descriptor: (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Brazzolotto, X, Nachon, F. Deposit date: 2018-10-25 Release date: 2019-03-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.384 Å) Cite: Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
8BTU	Structure of D179N BlaC from Mycobacterium tuberculosis Descriptor: Beta-lactamase Authors: Chikunova, A, Bruenle, S, Ubbink, M. Deposit date: 2022-11-30 Release date: 2023-07-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis. Febs J., 290, 2023

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