6MSB
 
 | |
6MVP
 | | HCV NS5B 1b N316 bound to Compound 18 | | 分子名称: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | 登録日 | 2018-10-26 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
|
|
6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | 分子名称: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | 登録日 | 2018-02-09 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
|
|
6SON
 | |
6ULG
 | | Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex | | 分子名称: | Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M. | | 登録日 | 2019-10-08 | | 公開日 | 2019-11-20 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
|
|
6OEX
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | | 分子名称: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | 登録日 | 2019-03-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
|
|
6SYB
 | | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | 分子名称: | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2019-09-27 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
|
|
6FIE
 | | Crystallographic structure of calcium loaded Calbindin-D28K. | | 分子名称: | CALCIUM ION, Calbindin, THIOCYANATE ION | | 著者 | Noble, J.W, Almalki, R, Roe, S.M, Wagner, A, Dumanc, R, Atack, J.R. | | 登録日 | 2018-01-18 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | The X-ray structure of human calbindin-D28K: an improved model.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
6O8O
 | | Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | | 分子名称: | CHLORIDE ION, SULFATE ION, Transcriptional regulator, ... | | 著者 | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2019-03-11 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
|
|
6SYW
 | |
3HKN
 | | Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide | | 分子名称: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | | 登録日 | 2009-05-25 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
|
|
3HKQ
 | | Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | | 分子名称: | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | | 登録日 | 2009-05-25 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
|
|
3HKB
 | | Tubulin: RB3 Stathmin-like domain complex | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | 登録日 | 2009-05-23 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HKC
 | | Tubulin-ABT751: RB3 stathmin-like domain complex | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | 登録日 | 2009-05-23 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6G6T
 | | Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | 分子名称: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2018-04-03 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
|
|
3HKE
 | | Tubulin-T138067: RB3 stathmin-like domain complex | | 分子名称: | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | 登録日 | 2009-05-23 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HKU
 | | Human carbonic anhydrase II in complex with topiramate | | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | | 登録日 | 2009-05-25 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
|
|
6SG6
 | |
3HKT
 | | Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide | | 分子名称: | Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol | | 著者 | Paul, B, Poulsen, S.-A, Hofmann, A. | | 登録日 | 2009-05-25 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
|
|
6G7O
 | | Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 Angstrom resolution | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Alkaline ceramidase 3,Soluble cytochrome b562, CALCIUM ION, ... | | 著者 | Leyrat, C, Vasiliauskaite-Brooks, I, Healey, R.D, Sounier, R, Grison, C, Hoh, F, Basu, S, Granier, S. | | 登録日 | 2018-04-06 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy.
Nat Commun, 9, 2018
|
|
3HKD
 | | Tubulin-TN16 : RB3 stathmin-like domain complex | | 分子名称: | (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | 登録日 | 2009-05-23 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6MVO
 | | HCV NS5B 1A Y316 bound to Compound 49 | | 分子名称: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | 登録日 | 2018-10-26 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
|
|
7KGQ
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230 | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
|
|
6FTV
 | |
3HLJ
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide | | 分子名称: | 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2009-05-27 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides
J Enzyme Inhib Med Chem, 25, 2010
|
|
