PDB: 31171 resultsInfo pagesStatus searchChemie searchBIRD

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7NPB	Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09 Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-02-26 Release date: 2022-01-12 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Fragment-based exploration of the 14-3-3/Amot-p130 interface. Curr Res Struct Biol, 4, 2022
5EF9	Structure of Influenza B Lee PB2 cap-binding domain Descriptor: Polymerase basic protein 2 Authors: Ma, X, Shia, S. Deposit date: 2015-10-23 Release date: 2015-11-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit. J.Biol.Chem., 291, 2016
8BWK	Metagenomic derived PL6 alginate lyase Descriptor: Alginate lyase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Angen, E.F, Wilkens, C. Deposit date: 2022-12-06 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Metagenomic derived PL6 alginate lyase To Be Published
7NMA	Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-02-23 Release date: 2022-01-12 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Fragment-based exploration of the 14-3-3/Amot-p130 interface. Curr Res Struct Biol, 4, 2022
5EQG	Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide Descriptor: (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 Authors: Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. Deposit date: 2015-11-12 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
7VMJ	Crystal structure of tubulin with 17a Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... Authors: Jifa, Z, Lun, T. Deposit date: 2021-10-08 Release date: 2022-10-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal structure of tubulin with 17j To Be Published
7NN2	Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41 Descriptor: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-02-24 Release date: 2022-01-12 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-based exploration of the 14-3-3/Amot-p130 interface. Curr Res Struct Biol, 4, 2022
7NP2	Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-02-26 Release date: 2022-01-12 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Fragment-based exploration of the 14-3-3/Amot-p130 interface. Curr Res Struct Biol, 4, 2022
5EQL	Isoform-specific inhibition of SUMO-dependent protein-protein interactions Descriptor: SUMO-Affirmer-S2D5, Small ubiquitin-related modifier 2 Authors: Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A. Deposit date: 2015-11-13 Release date: 2016-11-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology. Sci Signal, 10, 2017
6LZ2	Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... Authors: Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D. Deposit date: 2020-02-17 Release date: 2020-12-23 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.03 Å) Cite: An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification. Commun Biol, 3, 2020
7VHF	Crystal structure of the STX2a complexed with RRA peptide Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRA peptide, ... Authors: Senda, M, Takahashi, M, Nishikawa, K, Senda, T. Deposit date: 2021-09-22 Release date: 2022-07-20 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.75 Å) Cite: A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin. Sci Rep, 12, 2022
7MWT	Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with 1,1-Cyclobutanedicarboxylate Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... Authors: Tanner, J.J, Bogner, A.N. Deposit date: 2021-05-17 Release date: 2022-01-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase. Org.Biomol.Chem., 20, 2022
8B31	Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... Authors: Laustsen, J.U, Kumpf, A, Bento, I. Deposit date: 2022-09-15 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 To Be Published
6M37	The crystal structure of B. subtilis RsbV/RsbW complex in the hexagonal crystal form Descriptor: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW Authors: Pathak, D, Kwon, E, Kim, D.Y. Deposit date: 2020-03-02 Release date: 2020-07-15 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural insights into the regulation of SigB activity by RsbV and RsbW. Iucrj, 7, 2020
7MWV	Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclopropanecarboxylic acid Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ... Authors: Tanner, J.J, Bogner, A.N. Deposit date: 2021-05-17 Release date: 2022-01-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase. Org.Biomol.Chem., 20, 2022
5KVC	Thermostable mutant of halohydrin dehalogenase (HheC) Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Halohydrin dehalogenase, ... Authors: Dal Lago, M, Terwisscha van Scheltinga, A.C. Deposit date: 2016-07-14 Release date: 2017-01-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.501 Å) Cite: A robust cosolvent-compatible halohydrin dehalogenase by computational library design. Protein Eng. Des. Sel., 30, 2017
7VHE	Crystal structure of the STX2a complexed with RRRA peptide Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRRA peptide, ... Authors: Senda, M, Takahashi, M, Nishikawa, K, Senda, T. Deposit date: 2021-09-22 Release date: 2022-07-20 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin. Sci Rep, 12, 2022
8B68	Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 in complex with UDP-glucose Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... Authors: Laustsen, J.U, Bento, I. Deposit date: 2022-09-26 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 To Be Published
5EHG	DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341 Descriptor: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE Authors: Barral, K, Bricogne, G, Sharff, A. Deposit date: 2015-10-28 Release date: 2016-10-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design. Eur.J.Med.Chem., 125, 2016
8BWV	Crystal Structure of SilF Cu(I) Descriptor: COPPER (II) ION, SilF Authors: Lithgo, R.M, Carr, S.B, Scott, D.J, Quigley, A. Deposit date: 2022-12-07 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: SilF structure with Ag(I) and Cu(I) To Be Published
5ERY	Crystal Structure of APO MenD from M. tuberculosis - P212121 Descriptor: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase Authors: Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. Deposit date: 2015-11-16 Release date: 2016-06-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms. Structure, 24, 2016
5KWW	Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... Authors: McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. Deposit date: 2016-07-19 Release date: 2017-08-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun, 8, 2017
5ESI	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. Deposit date: 2015-11-16 Release date: 2016-11-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
7N14	Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 Descriptor: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M.N, Bruning, J.B, Bell, S.G. Deposit date: 2021-05-26 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.537 Å) Cite: To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
5VZS	BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide) Descriptor: 1,2-ETHANEDIOL, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, Bromodomain-containing protein 4 Authors: Murray, J.M. Deposit date: 2017-05-29 Release date: 2018-05-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.707 Å) Cite: GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300 To be published

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