PDB: 45331 resultsInfo pagesStatus searchChemie searchBIRD

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4C3X	Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 Descriptor: 3-KETOSTEROID DEHYDROGENASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W. Deposit date: 2013-08-28 Release date: 2013-11-06 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism J.Biol.Chem., 288, 2013
6QRR	X-ray radiation dose series on xylose isomerase - 0.13 MGy Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... Authors: Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. Deposit date: 2019-02-19 Release date: 2019-07-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.096 Å) Cite: Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
6QRV	X-ray radiation dose series on xylose isomerase - 2.63 MGy Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... Authors: Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. Deposit date: 2019-02-19 Release date: 2019-07-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
5RBQ	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B06b Descriptor: (1S)-1-(4-nitrophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.04 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RC5	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F06b Descriptor: (2R)-N-tert-butylpiperidine-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.03 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCK	PanDDA analysis group deposition -- Endothiapepsin ground state model 05 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (0.92 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RD0	PanDDA analysis group deposition -- Endothiapepsin ground state model 22 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.04 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
4YMO	Structure of human DNA polymerase beta complexed with N7BG in the template opposite to incoming non-hydrolyzable CTP WITH MANGANESE IN THE ACTIVE SITE Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA 10-mer (up-primer), DNA 16-mer (template), ... Authors: Lee, S, Koag, M.-C. Deposit date: 2015-03-07 Release date: 2016-03-09 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.148 Å) Cite: Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication. Biochemistry, 2018
7A5G	Structure of the elongating human mitoribosome bound to mtEF-Tu.GMPPCP and A/T mt-tRNA Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... Authors: Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V. Deposit date: 2020-08-21 Release date: 2020-12-23 Method: ELECTRON MICROSCOPY (4.33 Å) Cite: Elongational stalling activates mitoribosome-associated quality control. Science, 370, 2020
4BVO	Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1 Descriptor: 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ... Authors: Zebisch, M, Schaefer, P, Straeter, N. Deposit date: 2013-06-27 Release date: 2014-02-12 Last modified: 2014-04-16 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates. Acta Crystallogr.,Sect.D, 70, 2014
4YIA	Structural mechanism of hormone release in thyroxine binding globulin Descriptor: CALCIUM ION, CHLORIDE ION, INDOMETHACIN, ... Authors: Zheng, Y. Deposit date: 2015-03-01 Release date: 2016-03-02 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structural mechanism of hormone release in thyroxine Binding globulin To Be Published
4YMM	Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA Descriptor: DNA 10-mer (up-primer), DNA 16-mer (template), DNA 5-mer (dn-primer), ... Authors: Lee, S, Koag, M.-C. Deposit date: 2015-03-06 Release date: 2016-03-09 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA To Be Published
6QLW	Cathepsin-K in complex with MIV-710 Descriptor: CHLORIDE ION, Cathepsin K, SODIUM ION, ... Authors: Derbyshire, D.J. Deposit date: 2019-02-01 Release date: 2020-02-19 Method: X-RAY DIFFRACTION (2 Å) Cite: Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
6QXW	Pink beam serial crystallography: Lysozyme, 5 us exposure, 24344 patterns merged (3 chips) Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... Authors: Lieske, J, Tolstikova, A, Meents, A. Deposit date: 2019-03-08 Release date: 2019-09-25 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
6QXY	Pink beam serial crystallography: Lysozyme, 5 us exposure, 8813 patterns merged (1 chip) Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... Authors: Lieske, J, Tolstikova, A, Meents, A. Deposit date: 2019-03-08 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
6QY2	Pink beam serial crystallography: Lysozyme, 5 us exposure, 750 patterns merged Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... Authors: Lieske, J, Tolstikova, A, Meents, A. Deposit date: 2019-03-08 Release date: 2019-09-25 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
6QY5	Pink beam serial crystallography: Lysozyme, 1 us exposure, 4448 patterns merged (1 chip) Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... Authors: Lieske, J, Tolstikova, A, Meents, A. Deposit date: 2019-03-08 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.84 Å) Cite: 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
6XAT	Crystal structure of the human FoxP4 DNA binding Domain Descriptor: FOXP4 protein, SODIUM ION Authors: VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J. Deposit date: 2020-06-04 Release date: 2021-06-09 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors. Febs Lett., 597, 2023
6CPQ	Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2018-03-13 Release date: 2019-03-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP To Be Published
6RWD	Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution Descriptor: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, CHLORIDE ION, GLUTATHIONE, ... Authors: Olfsen, J, Pandian, R, Sayed, Y, Dirr, H.W, Achilonu, I.A. Deposit date: 2019-06-04 Release date: 2019-06-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Mol.Biochem.Parasitol., 240, 2020
5RDC	PanDDA analysis group deposition -- Endothiapepsin ground state model 34 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.02 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
4YWB	Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and oxalic acid Descriptor: 3-sulfanylpyridine-2-carboxylic acid, CHLORIDE ION, MANGANESE (II) ION, ... Authors: Balan, M.D, Johnson, T.A, Lotosky, W.R, Mcleod, M.J, Holyoak, T. Deposit date: 2015-03-20 Release date: 2015-09-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
4YU6	Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen Descriptor: ACETONITRILE, CALCIUM ION, Immune inhibitor A, ... Authors: Arolas, J.L, Goulas, T, Gomis-Ruth, F.X. Deposit date: 2015-03-18 Release date: 2015-10-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome. Structure, 24, 2016
6RZP	Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ... Authors: Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. Deposit date: 2019-06-13 Release date: 2019-07-17 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
5RBX	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a Descriptor: 2-methyl-N-(4-methylphenyl)-L-alanine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020

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