5UJ2
| Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | Descriptor: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | Authors: | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | Deposit date: | 2017-01-16 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6BDR
| Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000206 (Compound 9f) Complex | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol | Authors: | Taylor, A.B. | Deposit date: | 2017-10-24 | Release date: | 2018-10-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents. ACS Med Chem Lett, 9, 2018
|
|
6BE2
| |
5G1W
| Apo Structure of Linalool Dehydratase-Isomerase | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
|
|
5AJ0
| Cryo electron microscopy of actively translating human polysomes (POST state). | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Behrmann, E, Loerke, J, Budkevich, T.V, Yamamoto, K, Schmidt, A, Penczek, P.A, Vos, M.R, Burger, J, Mielke, T, Scheerer, P, Spahn, C.M.T. | Deposit date: | 2015-02-19 | Release date: | 2015-05-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Snapshots of Actively Translating Human Ribosomes Cell(Cambridge,Mass.), 161, 2015
|
|
4YFY
| X-ray structure of the Viof N-formyltransferase from Providencia alcalifaciens O30 in complex with THF and TDP-Qui4N | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30. Protein Sci., 24, 2015
|
|
3LON
| HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | Authors: | Prongay, A.J. | Deposit date: | 2010-02-04 | Release date: | 2011-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor To be Published
|
|
6B1V
| Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | Authors: | Hettle, A.G, Boraston, A.B. | Deposit date: | 2017-09-19 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme. Structure, 26, 2018
|
|
7B51
| Crystal structure of human CRM1 covalently modified by 2-mercaptoethanol at Cys528 | Descriptor: | BETA-MERCAPTOETHANOL, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Shaikhqasem, A, Ficner, R. | Deposit date: | 2020-12-03 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP. Acta Crystallogr.,Sect.F, 77, 2021
|
|
6F55
| Complex structure of PACSIN SH3 domain and TRPV4 proline rich region | Descriptor: | PACSIN 3, PRR | Authors: | Glogowski, N.A, Goretzki, B, Diehl, E, Duchardt-Ferner, E, Hacker, C, Hellmich, U.A. | Deposit date: | 2017-11-30 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of TRPV4 N Terminus Interaction with Syndapin/PACSIN1-3 and PIP2. Structure, 26, 2018
|
|
5D6P
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
|
|
6UZ3
| Cardiac sodium channel | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
|
|
4RHH
| Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, CALCIUM ION | Authors: | Dann, R, Lansky, S, Lavid, N, Zehavi, A, Belakhov, V, Baasov, T, Manjasetty, B, Belrhali, H, Shoham, Y, Shoham, G. | Deposit date: | 2014-10-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | To be published To be Published
|
|
3LR8
| Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1, ... | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D. | Deposit date: | 2010-02-10 | Release date: | 2010-05-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay. Nature, 465, 2010
|
|
7JP3
| Des-B29,B30-insulin | Descriptor: | CHLORIDE ION, Insulin B chain,Insulin A chain, PHENOL, ... | Authors: | Yoder, J, Weiss, M.A, DiMarchi, R, Zaykov, A. | Deposit date: | 2020-08-07 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Des-B29,B30-insulin To Be Published
|
|
5D7J
| Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Keller, A.N, Woolley, R.E, Rossjohn, J. | Deposit date: | 2015-08-14 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity, 44, 2016
|
|
5G4W
| S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR | Descriptor: | GLYCEROL, HISA, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-17 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
4YQL
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
|
|
6B4Q
| Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridin-4-ol | Descriptor: | DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, pyridin-4-ol | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-09-27 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridine-4-ol To Be Published
|
|
6F97
| Crystal structure of the V465T mutant of 5-(Hydroxymethyl)furfural Oxidase (HMFO) | Descriptor: | 5-(hydroxymethyl)furfural oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pickl, M, Swoboda, A, Romero, E, Winkler, C.K, Binda, C, Mattevi, A, Faber, K, Fraaije, M.W. | Deposit date: | 2017-12-14 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic Resolution of sec-Thiols by Enantioselective Oxidation with Rationally Engineered 5-(Hydroxymethyl)furfural Oxidase. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5G3W
| Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65 | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-05-02 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
|
|
4YJM
| |
6V21
| |
5D9L
| Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole | Descriptor: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | Authors: | Appleton, B.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. J.Med.Chem., 58, 2015
|
|
4YR1
| |