PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

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6B24	Crystal structure of fluoride channel Fluc Ec2 F80Y Mutant Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ... Authors: Last, N.B, Sun, S, Pham, M.C, Miller, C. Deposit date: 2017-09-19 Release date: 2017-10-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Molecular determinants of permeation in a fluoride-specific ion channel. Elife, 6, 2017
6VP2	Artificial Metalloproteins with Dinuclear Iron Centers Descriptor: ACETATE ION, AZIDE ION, Streptavidin, ... Authors: Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. Deposit date: 2020-02-01 Release date: 2021-02-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
6PD7	Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 Descriptor: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA Authors: Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. Deposit date: 2019-06-18 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
8PJD	Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 Descriptor: ACETATE ION, Protein arginine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... Authors: Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. Deposit date: 2023-06-23 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 To Be Published
6N79	Structure of the human JAK1 kinase domain with compound 20 Descriptor: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 Authors: Lupardus, P.J, Brown, D. Deposit date: 2018-11-27 Release date: 2019-04-24 Last modified: 2019-05-15 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
6VPD	Crystal structure of Trgpx in apo form Descriptor: Glutathione peroxidase Authors: Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S. Deposit date: 2020-02-03 Release date: 2020-12-16 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.603 Å) Cite: Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei. Int.J.Biol.Macromol., 167, 2020
6B2H	P38A/T216I mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-20 Release date: 2018-09-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6PDB	Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... Authors: Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. Deposit date: 2019-06-18 Release date: 2020-04-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
4Z7G	Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo Descriptor: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 Authors: Bayliss, R, Joshi, A. Deposit date: 2015-04-07 Release date: 2015-05-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Molecular mechanisms of human IRE1 activation through dimerization and ligand binding. Oncotarget, 6, 2015
6VJF	The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 Authors: Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. Deposit date: 2020-01-15 Release date: 2020-02-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.472 Å) Cite: Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1. Protein Sci., 29, 2020
6BBW	Structure of the major pilin protein (T3.2) from Streptococcus pyogenes serotype GAS13637 Descriptor: CALCIUM ION, Major pilin backbone protein T-antigen, T3.2. Authors: Young, P.G, Baker, E.N, Moreland, N.J. Deposit date: 2017-10-19 Release date: 2018-10-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 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
8PG7	Crystal structure of the metallo-beta-lactamase VIM1 with 2755 Descriptor: 7-[(1~{S})-1-[3-(4-azanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2755 To Be Published
6PDD	Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... Authors: Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. Deposit date: 2019-06-18 Release date: 2020-04-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
6VJX	The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 Descriptor: 4-(2-methylpropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Doherty, Z.D, Bell, S.G, Bruning, J. Deposit date: 2020-01-18 Release date: 2021-01-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.788 Å) Cite: The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 To Be Published
8PGO	Crystal structure of the metallo-beta-lactamase VIM1 with 3183 Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3183 To Be Published
8PNA	transcription factor BARHL2 bound to TAATG DNA sequence Descriptor: ACETATE ION, BarH-like 2 homeobox protein, DNA Authors: Morgunova, E, Popov, A, Yin, Y, Taipale, J. Deposit date: 2023-06-30 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.45 Å) Cite: transcription factor BARHL2 bound to different DNA sequences To Be Published
6PAU	Structure of Human NMT2 with myristoyl-lysine peptide and CoA products Descriptor: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ... Authors: Price, I.R, Lin, H. Deposit date: 2019-06-11 Release date: 2020-03-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.93 Å) Cite: NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle. Nat Commun, 11, 2020
4Z8J	Crystal structure of the SNX27 PDZ domain bound to the C-terminal PTHR PDZ binding motif Descriptor: C-terminal PDZ binding motif from parathyroid hormone receptor (PTHR), Sorting nexin-27 Authors: Clairfeuille, T, Pavlos, N, Collins, B.M. Deposit date: 2015-04-09 Release date: 2016-02-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (0.95 Å) Cite: Role of SNX27-retromer in PTHR trafficking To Be Published
8PJY	Crystal structure of the computationally designed SAKe6EEref protein Descriptor: SAKe6EEref Authors: Wouters, S.M.L. Deposit date: 2023-06-23 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Computational design of the SAKe scaffold proteins To Be Published
6N8E	Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa Descriptor: 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... Authors: Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. Deposit date: 2018-11-29 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3 Å) Cite: The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase. Nat Commun, 10, 2019
7TJ0	Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION Authors: Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. Deposit date: 2022-01-14 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
8PNO	The MgF3(H2O) transition state analog complex of E. coli YihX Descriptor: 1,2-ETHANEDIOL, Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, ... Authors: Baumann, P, Zappala, D, Jin, Y. Deposit date: 2023-06-30 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The MgF3(H2O)- transition state analog complex of E. coli YihX To Be Published
7OC9	Structure of Bdellovibrio bacteriovorus Bd0675 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ... Authors: Lovering, A.L, Valdivia-Delgado, M. Deposit date: 2021-04-26 Release date: 2021-05-05 Last modified: 2021-12-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Target highlights in CASP14: Analysis of models by structure providers. Proteins, 89, 2021
8D3G	Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine Descriptor: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ... Authors: Brosey, C.A, Tainer, J.A. Deposit date: 2022-06-01 Release date: 2023-11-08 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Chemical screening by time-resolved X-ray scattering to discover allosteric probes. Nat.Chem.Biol., 2024
6N8U	DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme Authors: Tempel, W, Dong, C. Deposit date: 2018-11-30 Release date: 2019-01-16 Method: X-RAY DIFFRACTION (1.96 Å) Cite: DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag To Be Published

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