2JNR
 
 | | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | | 分子名称: | ENV polyprotein, VIR165 | | 著者 | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | | 登録日 | 2007-02-01 | | 公開日 | 2007-05-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
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2KV0
 | | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | | 分子名称: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*TP*TP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*AP*(2PR)P*AP*CP*GP*TP*CP*G)-3') | | 著者 | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | | 登録日 | 2010-03-03 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA.
Angew.Chem.Int.Ed.Engl., 49, 2010
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2KUZ
 | | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | | 分子名称: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*TP*TP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*AP*AP*AP*CP*GP*TP*CP*G)-3') | | 著者 | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | | 登録日 | 2010-03-03 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 2-aminopurine incorporation perturbs the dynamics and structure of DNA.
Angew.Chem.Int.Ed.Engl., 49, 2010
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4MJ0
 | | BK Polyomavirus VP1 pentamer in complex with GD3 oligosaccharide | | 分子名称: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ... | | 著者 | Neu, U, Stroh, L.J, Stehle, T. | | 登録日 | 2013-09-03 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Structure-Guided Mutation in the Major Capsid Protein Retargets BK Polyomavirus.
Plos Pathog., 9, 2013
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6H9V
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4MJ1
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6GY9
 | | Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein | | 分子名称: | 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein | | 著者 | Ruoff, K, Kilic, T, Hansman, G.S. | | 登録日 | 2018-06-28 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein.
Biomacromolecules, 19, 2018
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4FMG
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4FMI
 | | Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine | | 分子名称: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | 著者 | Neu, U, Hengel, H, Stehle, T. | | 登録日 | 2012-06-17 | | 公開日 | 2012-09-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
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4FMH
 | | Merkel Cell Polyomavirus VP1 in complex with Disialyllactose | | 分子名称: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | 著者 | Neu, U, Hengel, H, Stehle, T. | | 登録日 | 2012-06-17 | | 公開日 | 2012-09-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
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4FMJ
 | | Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide | | 分子名称: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | 著者 | Neu, U, Hengel, H, Stehle, T. | | 登録日 | 2012-06-17 | | 公開日 | 2012-09-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
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3U0X
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3U0Y
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP | | 分子名称: | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, GLYCEROL, Histo-blood group ABO system transferase, ... | | 著者 | Palcic, M.M, Jorgensen, R. | | 登録日 | 2011-09-29 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
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2L6S
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | 分子名称: | VIR-576 | | 著者 | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | | 登録日 | 2010-11-24 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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2L6T
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | 分子名称: | VIR-576 | | 著者 | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | 登録日 | 2010-11-24 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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5TJK
 | | Crystal structure of GTA + A trisaccharide (native) | | 分子名称: | GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJN
 | | Crystal structure of GTB + B trisaccharide (native) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJL
 | | Crystal structure of GTA + A trisaccharide (mercury derivative) | | 分子名称: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJO
 | | Crystal structure of GTB + B trisaccharide (mercury derivative) | | 分子名称: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | 著者 | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | 登録日 | 2016-10-04 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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6W50
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2020-03-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
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4X6M
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4X6N
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4X6O
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5WB6
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-06-28 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (0.924 Å) | | 主引用文献 | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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