5O9U
 
 | | HsNMT1 in complex with CoA and Myristoylated-GCSVSKKK octapeptide | | Descriptor: | COENZYME A, Calcineurin B-like protein 4, GLYCEROL, ... | | Authors: | Dian, C, Meinnel, T, Giglione, C. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
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7K75
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7K76
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7JT4
 | | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | | Descriptor: | Nucleosome-remodeling factor subunit BPTF | | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2020-08-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
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7NAC
 | | State E2 nucleolar 60S ribosomal biogenesis intermediate - Composite model | | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | | Deposit date: | 2021-06-21 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
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8RYK
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | Descriptor: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-12 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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5N2A
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM | | Descriptor: | 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ... | | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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4PI9
 | | Crystal structure of S. Aureus Autolysin E in complex with muropeptide NAM-L-ALA-D-iGLU | | Descriptor: | (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid, Autolysin E, CHLORIDE ION, ... | | Authors: | Mihelic, M, Renko, M, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers.
IUCrJ, 4, 2017
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4PI8
 | | Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
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5N28
 | | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM | | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
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4PI7
 | | Crystal structure of S. Aureus Autolysin E in complex with disaccharide NAM-NAG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
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4PIA
 | | Crystal structure of S. Aureus Autolysin E | | Descriptor: | Autolysin E, CHLORIDE ION | | Authors: | Mihelic, M, Renko, M, Dobersek, A, Bedrac, L, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.466 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
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6NCH
 | | Crystal structure of CDP-Chase: Raster data collection | | Descriptor: | D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ... | | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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4U1F
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6NW2
 | | Structure of human RIPK1 kinase domain in complex with compound 11 | | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-05 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
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6NYH
 | | Structure of human RIPK1 kinase domain in complex with GNE684 | | Descriptor: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-11 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
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6O8I
 | | BTK In Complex With Inhibitor | | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | | Deposit date: | 2019-03-11 | | Release date: | 2019-04-03 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
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6OB5
 | | Computationally-designed, modular sense/response system (S3-2D) | | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | | Deposit date: | 2019-03-19 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.208 Å) | | Cite: | Computational design of a modular protein sense-response system.
Science, 366, 2019
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6T1Z
 | | LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... | | Authors: | Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. | | Deposit date: | 2019-10-07 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity.
Nat.Struct.Mol.Biol., 27, 2020
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6TP1
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6TOY
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3F7I
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2008-11-09 | | Release date: | 2009-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
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3F7H
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2008-11-09 | | Release date: | 2009-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
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3F7G
 | | Structure of the BIR domain from ML-IAP bound to a peptidomimetic | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 7, L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2008-11-09 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
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