2KUZ
 
 | | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | | Descriptor: | 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') | | Authors: | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | | Deposit date: | 2010-03-03 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 2-aminopurine incorporation perturbs the dynamics and structure of DNA.
Angew.Chem.Int.Ed.Engl., 49, 2010
|
|
2KV0
 | | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | | Descriptor: | 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') | | Authors: | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | | Deposit date: | 2010-03-03 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA.
Angew.Chem.Int.Ed.Engl., 49, 2010
|
|
2JNR
 | | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | | Descriptor: | ENV polyprotein, VIR165 | | Authors: | 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. | | Deposit date: | 2007-02-01 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
|
|
4MJ0
 | | BK Polyomavirus VP1 pentamer in complex with GD3 oligosaccharide | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Stroh, L.J, Stehle, T. | | Deposit date: | 2013-09-03 | | Release date: | 2013-11-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Structure-Guided Mutation in the Major Capsid Protein Retargets BK Polyomavirus.
Plos Pathog., 9, 2013
|
|
4MJ1
 | | unliganded BK Polyomavirus VP1 pentamer | | Descriptor: | CHLORIDE ION, GLYCEROL, VP1 capsid protein | | Authors: | Neu, U, Stroh, L.J, Stehle, T. | | Deposit date: | 2013-09-03 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Structure-Guided Mutation in the Major Capsid Protein Retargets BK Polyomavirus.
Plos Pathog., 9, 2013
|
|
6GY9
 | | Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein | | Descriptor: | 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein | | Authors: | Ruoff, K, Kilic, T, Hansman, G.S. | | Deposit date: | 2018-06-28 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein.
Biomacromolecules, 19, 2018
|
|
4FMI
 | | Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
6H9V
 | |
4FMH
 | | Merkel Cell Polyomavirus VP1 in complex with Disialyllactose | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
4FMJ
 | | Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
4FMG
 | |
3U0Y
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP | | Descriptor: | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, GLYCEROL, Histo-blood group ABO system transferase, ... | | Authors: | Palcic, M.M, Jorgensen, R. | | Deposit date: | 2011-09-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
|
|
3U0X
 | |
2L6S
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | 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. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
|
|
2L6T
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | 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. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
|
|
5TJK
 | | Crystal structure of GTA + A trisaccharide (native) | | Descriptor: | 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 | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 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
|
|
5TJN
 | | Crystal structure of GTB + B trisaccharide (native) | | Descriptor: | (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 | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | 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
|
|
5TJL
 | | Crystal structure of GTA + A trisaccharide (mercury derivative) | | Descriptor: | 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 | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | 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
|
|
5TJO
 | | Crystal structure of GTB + B trisaccharide (mercury derivative) | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | 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
|
|
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 | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2020-03-12 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
|
|
5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
4X6M
 | |
4X6N
 | |
4X6O
 | |
4WXI
 | |
