8OPU
 
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5T5I
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | | Authors: | Wagner, T, Ermler, U, Shima, S. | | Deposit date: | 2016-08-31 | | Release date: | 2016-10-19 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
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3ZLE
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8OPW
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4R18
 | | Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome | | Descriptor: | ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | | Deposit date: | 2014-08-04 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
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8OPY
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
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4R4X
 | | Structure of PNGF-II in C2 space group | | Descriptor: | PNGF-II, ZINC ION | | Authors: | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | | Deposit date: | 2014-08-20 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica
J.Biol.Chem., 2015
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6BUN
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6C12
 | | SDHA-SDHE complex | | Descriptor: | FAD assembly factor SdhE, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Maher, M.J. | | Deposit date: | 2018-01-03 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of bacterial succinate:quinone oxidoreductase flavoprotein SdhA in complex with its assembly factor SdhE.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LZV
 | | Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1. | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | | Deposit date: | 2016-10-02 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
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8OQN
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5LZ8
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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8E5N
 | | Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10 | | Descriptor: | 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L, Gathiaka, S. | | Deposit date: | 2022-08-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.538 Å) | | Cite: | Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
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5LZM
 | | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | | Deposit date: | 1991-01-25 | | Release date: | 1992-07-15 | | Last modified: | 2021-06-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
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8EC4
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6C23
 | | Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Compact Active State | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ... | | Authors: | Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E. | | Deposit date: | 2018-01-05 | | Release date: | 2018-01-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
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8AMF
 | | Cryo-EM structure of the RecA postsynaptic filament from S. pneumoniae | | Descriptor: | DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA | | Authors: | Perry, T.N, Fronzes, R, Polard, P, Hertzog, M. | | Deposit date: | 2022-08-03 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae.
Nucleic Acids Res., 51, 2023
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5M3A
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | Deposit date: | 2016-10-14 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
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8EBI
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1AQE
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8ECF
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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8DSG
 | | P411-PFA carbene transferase | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ... | | Authors: | Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases.
Nat Catal, 6, 2023
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6C4J
 | | Ligand bound full length hUGDH with A104L substitution | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-1,2-PROPANEDIOL, ... | | Authors: | Beattie, N.R, Pioso, B.J, Wood, Z.A, Sidlo, A.M. | | Deposit date: | 2018-01-12 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Hysteresis and Allostery in Human UDP-Glucose Dehydrogenase Require a Flexible Protein Core.
Biochemistry, 57, 2018
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5LZX
 | | Structure of the mammalian rescue complex with Pelota and Hbs1l assembled on a UGA stop codon. | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | | Deposit date: | 2016-10-02 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
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