PDB: 31311 resultsInfo pagesStatus searchChemie searchBIRD

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7NFI	An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L7Y. Descriptor: CC-Type2-(LaId)4-L7Y Authors: Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. Deposit date: 2021-02-07 Release date: 2022-03-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
8W0V	Crystal structure of broadly neutralizing antibody hcab55 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... Authors: Flyak, A.I, Wilcox, X.E. Deposit date: 2024-02-14 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity, 57, 2024
7NFP	A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K Descriptor: CC-Type2-(LaId)4-I17K, GLYCEROL Authors: Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. Deposit date: 2021-02-07 Release date: 2022-03-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
7PZF	Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia Descriptor: LITHIUM ION, OmpK36, TETRADECANE Authors: Kwong, H, Beis, K. Deposit date: 2021-10-12 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.499 Å) Cite: Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae. Plos Pathog., 18, 2022
5EAG	Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz Authors: Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. Deposit date: 2015-10-16 Release date: 2016-02-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
8PC7	STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ... Authors: Cea-Rama, I, Sanz-Aparicio, J. Deposit date: 2023-06-09 Release date: 2023-07-19 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor. Chem.Commun.(Camb.), 59, 2023
5UMZ	Structure of TNRC6A NLS in complex with importin-alpha Descriptor: GLYCEROL, Importin subunit alpha-1, TNRC6A Authors: Chaston, J, Stewart, A.G, Christie, M. Deposit date: 2017-01-30 Release date: 2017-12-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural characterisation of TNRC6A nuclear localisation signal in complex with importin-alpha. PLoS ONE, 12, 2017
7NL1	Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii Descriptor: Cystathione gamma lyase, putative, PYRIDOXAL-5'-PHOSPHATE Authors: Fernandez-Rodriguez, C, Conter, C, Recio, I, Astegno, A, Martinez-Cruz, L.A. Deposit date: 2021-02-22 Release date: 2022-03-02 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.331 Å) Cite: Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
7YPE	Crystal structure of AsfvPCNA in space group of P63 Descriptor: E301R, GLYCEROL Authors: Shao, Z.W, Gan, J.H. Deposit date: 2022-08-03 Release date: 2023-07-26 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural and functional studies of PCNA from African swine fever virus. J.Virol., 97, 2023
5UNX	Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2017-01-31 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
6N0A	Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232 Descriptor: CALCIUM ION, Major pilin backbone protein T-antigen Authors: Young, P.G, Raynes, J.M, Loh, J.M, Proft, T, Baker, E.N, Moreland, N.J. Deposit date: 2018-11-06 Release date: 2019-04-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Group AStreptococcusT Antigens Have a Highly Conserved Structure Concealed under a Heterogeneous Surface That Has Implications for Vaccine Design. Infect.Immun., 87, 2019
8SLZ	Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain Descriptor: Mixed lineage kinase domain-like protein Authors: Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M. Deposit date: 2023-04-25 Release date: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Phosphorylation-dependent pseudokinase domain dimerization drives full-length MLKL oligomerization. Nat Commun, 14, 2023
5UO0	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2017-01-31 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
5HHX	Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ... Authors: Liu, S. Deposit date: 2016-01-11 Release date: 2016-06-01 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (3 Å) Cite: Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide. Sci Rep, 6, 2016
7YL2	Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... Authors: Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. Deposit date: 2022-07-25 Release date: 2023-07-26 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 To Be Published
7NFK	An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S. Descriptor: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL Authors: Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. Deposit date: 2021-02-07 Release date: 2022-03-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
7PPL	SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636) Descriptor: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ... Authors: Sok, P, Zeke, A, Remenyi, A. Deposit date: 2021-09-14 Release date: 2022-09-07 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling. Nat Commun, 13, 2022
5HRQ	Insulin with proline analog HzP at position B28 in the R6 state Descriptor: CHLORIDE ION, Insulin A-Chain, Insulin B-Chain, ... Authors: Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. Deposit date: 2016-01-24 Release date: 2017-01-25 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (1.28 Å) Cite: 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
6N0P	BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254) Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf Authors: Mamo, M, Appleton, B.A. Deposit date: 2018-11-07 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
8VET	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2023-12-20 Release date: 2024-04-24 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
5UOD	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2017-01-31 Release date: 2017-05-03 Last modified: 2020-01-01 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
8PQ7	The Potato Late Blight pathogen (Phytophthora infestans) effector protein Pi04134 in complex with potato protein phosphatase type 1c (PP1c). Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, RxLR effector protein PexRD24, ... Authors: Bentham, A.R, Banfield, M.J. Deposit date: 2023-07-10 Release date: 2023-07-19 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The WY Domain of an RxLr Effector Drives Interactions with a Host Target Phosphatase to Mimic Host Regulatory Proteins and Promote Phytophthora infestans Infection. Mol.Plant Microbe Interact., 37, 2024
6N8Q	Crystal structure of the human cell polarity protein Lethal Giant Larvae 2 (Lgl2). Unphosphorylated, crystal form 2. Descriptor: CHLORIDE ION, GLYCEROL, Lethal(2) giant larvae protein homolog 2 Authors: Almagor, L, Weis, W.I. Deposit date: 2018-11-30 Release date: 2019-05-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2. Proc.Natl.Acad.Sci.USA, 116, 2019
8SWZ	PARP4 ART domain bound to EB47 Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 Authors: Frigon, L, Pascal, J.M. Deposit date: 2023-05-19 Release date: 2023-11-08 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
7NEM	Hydrogenase-2 variant R479K - anaerobically oxidised form Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... Authors: Carr, S.B. Deposit date: 2021-02-04 Release date: 2022-03-02 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.35 Å) Cite: A comprehensive structural and kinetic investigation of the role of the active-site argininein bidirectional hydrogen activation by the [NiFe]-hydrogenase "Hyd-2) from Escherichia coli To Be Published

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