PDB: 5578 resultsInfo pagesStatus searchChemie searchBIRD

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5KYJ	Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Descriptor: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta Authors: Chen, G, McKeever, B.M. Deposit date: 2016-07-21 Release date: 2016-09-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
6QXG	Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with FdUMP Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase Authors: Pozzi, C, Mangani, M. Deposit date: 2019-03-07 Release date: 2019-04-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
5L3E	LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... Authors: Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. Deposit date: 2016-04-10 Release date: 2016-09-21 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
5KUO	Human cyclophilin A at 100K, Data set 3 Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. Deposit date: 2016-07-13 Release date: 2016-08-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
5KUV	Human cyclophilin A at 100K, Data set 8 Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. Deposit date: 2016-07-13 Release date: 2016-08-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
5KV3	Human cyclophilin A at 278K, Data set 5 Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. Deposit date: 2016-07-13 Release date: 2016-08-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
5KUR	Human cyclophilin A at 100K, Data set 5 Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. Deposit date: 2016-07-13 Release date: 2016-09-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
6RBI	Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... Authors: Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. Deposit date: 2019-04-10 Release date: 2020-05-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol To Be Published
5L3G	LSD1-CoREST1 in complex with polymyxin E (colistin) Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... Authors: Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. Deposit date: 2016-04-10 Release date: 2016-09-21 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
5L9U	Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... Authors: Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A. Deposit date: 2016-06-11 Release date: 2016-09-14 Last modified: 2024-10-16 Method: ELECTRON MICROSCOPY (6.4 Å) Cite: Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. Cell, 165, 2016
5KV6	Human cyclophilin A at 278K, Data set 8 Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. Deposit date: 2016-07-13 Release date: 2016-08-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
6R4A	Aurora-A in complex with shape-diverse fragment 55 Descriptor: 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... Authors: Bayliss, R, McIntyre, P.J. Deposit date: 2019-03-22 Release date: 2019-05-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.937 Å) Cite: Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
5KYA	Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Descriptor: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol Authors: Chen, G, McKeever, B.M. Deposit date: 2016-07-21 Release date: 2016-09-21 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.598 Å) Cite: Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
5L8K	Aurora-A kinase domain in complex with vNAR-D01 (crystal form 2) Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... Authors: Burgess, S.G, Bayliss, R. Deposit date: 2016-06-08 Release date: 2016-07-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain. Open Biology, 6, 2016
6R4D	Aurora-A in complex with shape-diverse fragment 58 Descriptor: (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... Authors: Bayliss, R, McIntyre, P.J. Deposit date: 2019-03-22 Release date: 2019-05-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.009 Å) Cite: Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
5L0P	Symmetry-based assembly of a two-dimensional protein lattice Descriptor: Transcription factor ETV6, Ferric uptake regulation protein chimera Authors: Faham, S. Deposit date: 2016-07-27 Release date: 2017-03-29 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Symmetry based assembly of a 2 dimensional protein lattice. PLoS ONE, 12, 2017
6L30	Crystal structure of the epithelial cell transforming 2 (ECT2) Descriptor: Protein ECT2 Authors: Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P. Deposit date: 2019-10-07 Release date: 2020-01-01 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure and regulation of human epithelial cell transforming 2 protein. Proc.Natl.Acad.Sci.USA, 117, 2020
5L3C	Human LSD1/CoREST: LSD1 E379K mutation Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 Authors: Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. Deposit date: 2016-04-06 Release date: 2016-05-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.31 Å) Cite: LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
5LT0	nucleotide-free kinesin-1 motor domain, P212121 crystal form Descriptor: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ... Authors: Cao, L, Gigant, B. Deposit date: 2016-09-06 Release date: 2017-03-01 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2 Å) Cite: The structural switch of nucleotide-free kinesin. Sci Rep, 7, 2017
6R75	Crystal structure of human Ube2T E54R mutant Descriptor: Ubiquitin-conjugating enzyme E2 T Authors: Chaugule, V.K, Rennie, M.L, Walden, H, Arkinson, C, Kamarainen, O, Toth, R. Deposit date: 2019-03-28 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Allosteric mechanism for site-specific ubiquitination of FANCD2. Nat.Chem.Biol., 16, 2020
6KZH	14-3-3 protein in Complex with CIC S173 phosphorylated peptide Descriptor: 14-3-3 protein theta, CIC pS173 peptide Authors: Wen, Y, Shao, Y. Deposit date: 2019-09-24 Release date: 2020-09-30 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.645 Å) Cite: 14-3-3 protein in Complex with CIC S173 phosphorylated peptide To Be Published
5LJ1	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one Descriptor: 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, Bromodomain-containing protein 4 Authors: Chung, C, Bamborough, P, Demont, E. Deposit date: 2016-07-17 Release date: 2016-08-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A Chemical Probe for the ATAD2 Bromodomain. Angew.Chem.Int.Ed.Engl., 55, 2016
5LNC	Structure of SPX domain of the yeast inorganic polyphophate polymerase Vtc4 crystallized by carrier-driven crystallization in fusion with the macro domain of human histone macroH2A1.1 Descriptor: Vacuolar transporter chaperone 4,Core histone macro-H2A.1 Authors: Wild, R, Hothorn, M. Deposit date: 2016-08-03 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.29 Å) Cite: The macro domain as fusion tag for carrier-driven crystallization. Protein Sci., 26, 2017
5LPX	Crystal structure of PKC phosphorylation-mimicking mutant (S26E) Annexin A2 Descriptor: Annexin A2, CALCIUM ION, GLYCEROL Authors: Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. Deposit date: 2016-08-15 Release date: 2017-07-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
6LGJ	Crystal structure of an oxido-reductase Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Yang, Y, Lei, J, Yin, L. Deposit date: 2019-12-05 Release date: 2020-12-09 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of an oxido-reductase To be published

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