6TCD
 
 | | Crystal structure of Salmo salar RidA-2 | | Descriptor: | ACETATE ION, Ribonuclease UK114, SULFATE ION | | Authors: | Ricagno, S, Visentin, C, Di Pisa, F, Digiovanni, S, Oberti, L, Degani, G, Popolo, L, Bartorelli, A. | | Deposit date: | 2019-11-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage.
Sci Rep, 10, 2020
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6T64
 | | A model of the EIAV CA-SP hexamer (C6) from Gag-deltaMA spheres assembled at pH6 | | Descriptor: | Gag polyprotein | | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | | Deposit date: | 2019-10-17 | | Release date: | 2020-01-15 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
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7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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8UDT
 | | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | | Descriptor: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | Deposit date: | 2023-09-29 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.829 Å) | | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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7ORU
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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4YGJ
 | | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | Deposit date: | 2015-02-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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4Y4Q
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8D38
 | | Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus | | Descriptor: | Purine nucleoside phosphorylase, SODIUM ION | | Authors: | Given, F, Johnston, J, Crittenden, D, Moran, F, Johns, A. | | Deposit date: | 2022-05-31 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'.
Acta Crystallogr.,Sect.F, 78, 2022
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4YHE
 | | NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYSACCHARIDE UTILIZATION LOCUS | | Descriptor: | GH5 | | Authors: | Naas, A.E, MacKenzie, A.K, Dalhus, B, Eijsink, V.G.H, Pope, P.B. | | Deposit date: | 2015-02-27 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus.
Sci Rep, 5, 2015
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6PT2
 | | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | Deposit date: | 2019-07-14 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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6T95
 | | Trypanothione Reductase from Leismania infantum in complex with 4a | | Descriptor: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Carriles, A.A, Hermoso, J.A. | | Deposit date: | 2019-10-25 | | Release date: | 2020-11-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022
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6NKC
 | | Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome. | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome.
To Be Published
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7U8J
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7BEY
 | | Het-N2-SO3- - De novo designed three-helix heterodimer with Cysteine S-sulfate at the N2 position of the alpha-helix | | Descriptor: | 'Cys-N2-SO3-' Strand, 'Positive' Strand, SULFATE ION | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
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7BOT
 | | Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 | | Descriptor: | N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
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7U5O
 | | CRYSTAL STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-B | | Descriptor: | Bone morphogenetic protein receptor type-2, Inhibin beta B chain | | Authors: | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | | Deposit date: | 2022-03-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition.
J.Biol.Chem., 298, 2022
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5N50
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6TIW
 | | Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2) | | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | | Deposit date: | 2019-11-22 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
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7BQ6
 | | Crystal structure of Pennisetum glaucum monodehydroascorbate reductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet.
Biochem.Biophys.Res.Commun., 662, 2023
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7TQ2
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | | Descriptor: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8DCY
 | | CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab | | Descriptor: | 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
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7TYG
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7TQ3
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TXH
 | | Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca | | Descriptor: | GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ... | | Authors: | Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M. | | Deposit date: | 2022-02-09 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
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8G4J
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