8UUV
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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7U5I
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8UZ6
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7QUJ
| Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | Authors: | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | Deposit date: | 2022-01-18 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biocatalytic routes to stereo-divergent iridoids. Nat Commun, 13, 2022
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7U5L
| Cryo-EM Structure of Ferritin | Descriptor: | FE (III) ION, Ferritin heavy chain | Authors: | Morgan, C.E, Zhang, Z, Yu, E.W. | Deposit date: | 2022-03-02 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Toward structural-omics of the bovine retinal pigment epithelium. Cell Rep, 41, 2022
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8UUG
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8V0K
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8DYF
| IL17A homodimer bound to Compound 10 | Descriptor: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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5X08
| Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound | Descriptor: | ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2017-01-20 | Release date: | 2017-04-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane J. Mol. Biol., 429, 2017
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8UQX
| Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
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8UUH
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8E1A
| Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | Authors: | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | Deposit date: | 2022-08-10 | Release date: | 2022-09-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors. Cells, 11, 2022
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8V0I
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4QH7
| LC8 - Ana2 (159-168) Complex | Descriptor: | Anastral spindle 2, Dynein light chain 1, cytoplasmic | Authors: | Slevin, L.K, Romes, E.R, Slep, K.C. | Deposit date: | 2014-05-27 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.829 Å) | Cite: | The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor. J.Biol.Chem., 289, 2014
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7TSQ
| Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, AMP state | Descriptor: | ADENOSINE MONOPHOSPHATE, Cap2, Cyclic AMP-AMP-GMP synthase, ... | Authors: | Ye, Q, Gu, Y, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | Deposit date: | 2022-01-31 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria. Nature, 616, 2023
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8E1F
| Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D. | Deposit date: | 2022-08-10 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form To Be Published
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8UQW
| Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
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8UZU
| Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant | Descriptor: | CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J. | Deposit date: | 2023-11-16 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant To Be Published
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8UWY
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8UOB
| SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | Deposit date: | 2023-10-19 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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5IJ9
| Cryo EM density of microtubule assembled from human TUBB3-D417H mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ti, S.C, Pamula, M.C, Howes, S.C, Duellberg, C, Cade, N.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends. Dev.Cell, 37, 2016
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4XB6
| Structure of the E. coli C-P lyase core complex | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | Authors: | Brodersen, D.E. | Deposit date: | 2014-12-16 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the bacterial carbon-phosphorus lyase machinery. Nature, 525, 2015
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7H6K
| Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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5F2U
| Structure of Fully modified farnesylated INPP5E Peptide in complex with PDE6D | Descriptor: | FARNESYL, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase, s-farnesyl-l-cysteine methyl ester, ... | Authors: | Fansa, E.K, Isamil, S, Wittinghofer, A. | Deposit date: | 2015-12-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PDE6delta-mediated sorting of INPP5E into the cilium is determined by cargo-carrier affinity. Nat Commun, 7, 2016
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5F31
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | Descriptor: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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