PDB: 222415 resultsInfo pagesStatus searchChemie searchBIRD

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7LJJ	Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase Authors: Robb, C.S, Boraston, A.B. Deposit date: 2021-01-29 Release date: 2022-02-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Metabolism of a hybrid algal galactan by members of the human gut microbiome. Nat.Chem.Biol., 18, 2022
7LGV	NMR structure of Beta-KTx14.3 Descriptor: Neurotoxin beta-KTx 14.3 Authors: Carranza-Gonzalez, L.E, Titaux-Delgado, G.A, del Rio-Portilla, J.F. Deposit date: 2021-01-21 Release date: 2022-02-09 Last modified: 2023-08-23 Method: SOLUTION NMR Cite: Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1. Biochim Biophys Acta Proteins Proteom, 1871, 2023
7LGF	Asymmetric unit for phage Qbeta prolate particle Descriptor: Capsid protein Authors: Chang, J.Y, Zhang, J. Deposit date: 2021-01-20 Release date: 2022-01-26 Last modified: 2022-03-09 Method: ELECTRON MICROSCOPY (6.1 Å) Cite: Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles. Viruses, 14, 2022
7LGE	Asymmetric unit for phage Qbeta T=4 particle Descriptor: Capsid protein Authors: Chang, J.Y, Zhang, J. Deposit date: 2021-01-20 Release date: 2022-01-26 Last modified: 2022-03-09 Method: ELECTRON MICROSCOPY (5.6 Å) Cite: Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles. Viruses, 14, 2022
7LM4	The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... Authors: Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. Deposit date: 2021-02-05 Release date: 2022-02-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.35 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
7M26	Human carbonic anhydrase II in complex with pioglitazone Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION Authors: Mueller, S.L, Peat, T.S. Deposit date: 2021-03-16 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
5KFD	Human DNA polymerase eta-DNA ternary complex: reaction with 1 mM Mn2+ for 300s Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
7LHD	The complete model of phage Qbeta virion Descriptor: Capsid protein, Genomic RNA, Maturation protein A2 Authors: Chang, J.Y, Zhang, J. Deposit date: 2021-01-22 Release date: 2022-01-26 Last modified: 2022-03-09 Method: ELECTRON MICROSCOPY (4.6 Å) Cite: Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles. Viruses, 14, 2022
5KFN	Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: reaction with 1 mM Mg2+ for 1800s Descriptor: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
7M23	Human carbonic anhydrase II in complex with troglitazone Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION Authors: Mueller, S.L, Peat, T.S. Deposit date: 2021-03-16 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
5KFZ	Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 14 degree Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
7LP8	The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 Descriptor: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... Authors: Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. Deposit date: 2021-02-11 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.55 Å) Cite: The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 To Be Published
7LPY	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
7LPZ	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
7M24	Human carbonic anhydrase II in complex with (R)-rosiglitazone Descriptor: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION Authors: Mueller, S.L, Peat, T.S. Deposit date: 2021-03-16 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
5KFP	Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: reaction with 20 mM Mg2+ for 600s Descriptor: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), CALCIUM ION, DIPHOSPHATE, ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
5KG0	Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 5 mM Mn2+ for 60s at 22 degree Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ... Authors: Gao, Y, Yang, W. Deposit date: 2016-06-12 Release date: 2016-06-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Capture of a third Mg2+ is essential for catalyzing DNA synthesis. Science, 352, 2016
7LQ0	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
7LP7	The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 Descriptor: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... Authors: Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. Deposit date: 2021-02-11 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 To Be Published
7LI1	Crystal structure of holo Moraxella catarrhalis ferric binding protein A in an open conformation Descriptor: CARBONATE ION, FE (III) ION, Fe(3+) ABC transporter substrate-binding protein Authors: Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. Deposit date: 2021-01-26 Release date: 2022-02-23 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens. Biometals, 2022
7LI0	Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation Descriptor: CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. Deposit date: 2021-01-26 Release date: 2022-02-23 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens. Biometals, 2022
7LRR	Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) (M1) and Co(II) (M2) Descriptor: COBALT (II) ION, HEME C, Soluble cytochrome b562 Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2021-02-17 Release date: 2022-02-23 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Overcoming universal restrictions on metal selectivity by protein design. Nature, 603, 2022
7LQA	X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged) Descriptor: CALCIUM ION, Proteinase K, SULFATE ION Authors: Yabukarski, F, Doukov, T, Herschlag, D. Deposit date: 2021-02-13 Release date: 2022-02-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
7LSL	Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II) Descriptor: HEME C, NICKEL (II) ION, Soluble cytochrome b562 Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2021-02-18 Release date: 2022-02-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structure-guided metal selectivity in malleable protein interface mediated by single disulfide bond To Be Published
5K5Z	Structure of pnob8 ParA Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ParA Authors: Schumacher, M. Deposit date: 2016-05-24 Release date: 2016-06-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.369 Å) Cite: Structures of archaeal DNA segregation machinery reveal bacterial and eukaryotic linkages. Science, 349, 2015

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