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 | | 分子名称: | (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, ... | | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | | 登録日 | 2017-01-16 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | 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
 | |
6BE2
 | |
5G1W
 | | Apo Structure of Linalool Dehydratase-Isomerase | | 分子名称: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | | 著者 | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | | 登録日 | 2016-03-30 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | 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). | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | 著者 | 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. | | 登録日 | 2015-02-19 | | 公開日 | 2015-05-20 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M. | | 登録日 | 2015-02-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Protein Sci., 24, 2015
|
|
3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | 分子名称: | (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, ... | | 著者 | Prongay, A.J. | | 登録日 | 2010-02-04 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2017-09-19 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | 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 | | 分子名称: | BETA-MERCAPTOETHANOL, Exportin-1, GTP-binding nuclear protein Ran, ... | | 著者 | Shaikhqasem, A, Ficner, R. | | 登録日 | 2020-12-03 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | 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 | | 分子名称: | PACSIN 3, PRR | | 著者 | Glogowski, N.A, Goretzki, B, Diehl, E, Duchardt-Ferner, E, Hacker, C, Hellmich, U.A. | | 登録日 | 2017-11-30 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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 | | 分子名称: | (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, ... | | 著者 | 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. | | 登録日 | 2015-08-12 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
|
|
6UZ3
 | | Cardiac sodium channel | | 分子名称: | (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, ... | | 著者 | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | | 登録日 | 2019-11-14 | | 公開日 | 2020-01-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, CALCIUM ION | | 著者 | Dann, R, Lansky, S, Lavid, N, Zehavi, A, Belakhov, V, Baasov, T, Manjasetty, B, Belrhali, H, Shoham, Y, Shoham, G. | | 登録日 | 2014-10-02 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | To be published
To be Published
|
|
3LR8
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1, ... | | 著者 | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D. | | 登録日 | 2010-02-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
|
|
7JP3
 | | Des-B29,B30-insulin | | 分子名称: | CHLORIDE ION, Insulin B chain,Insulin A chain, PHENOL, ... | | 著者 | Yoder, J, Weiss, M.A, DiMarchi, R, Zaykov, A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Des-B29,B30-insulin
To Be Published
|
|
5D7J
 | | Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Keller, A.N, Woolley, R.E, Rossjohn, J. | | 登録日 | 2015-08-14 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2016-05-17 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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 | | 分子名称: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | 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 | | 分子名称: | DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, pyridin-4-ol | | 著者 | 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. | | 登録日 | 2017-09-27 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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) | | 分子名称: | 5-(hydroxymethyl)furfural oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Pickl, M, Swoboda, A, Romero, E, Winkler, C.K, Binda, C, Mattevi, A, Faber, K, Fraaije, M.W. | | 登録日 | 2017-12-14 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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 | | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | 登録日 | 2016-05-02 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
|
|
4YJM
 | |
6V21
 | |
5D9L
 | |
4YR1
 | |
