7ELQ
 
 | |
7EOH
 | | Crystal structure of the Pepper aptamer in complex with HBC | | Descriptor: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, Pepper (49-MER) | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.637 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOL
 | | Crystal structure of the Pepper aptamer in complex with HBC497 | | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.309 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOG
 | |
7EOI
 | |
7EON
 | | Crystal structure of the Pepper aptamer in complex with HBC514 | | Descriptor: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOM
 | | Crystal structure of the Pepper aptamer in complex with HBC508 | | Descriptor: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOO
 | | Crystal structure of the Pepper aptamer in complex with HBC525 | | Descriptor: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOK
 | | Crystal structure of the Pepper aptamer in complex with HBC485 | | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
7EOJ
 | |
7EOP
 | | Crystal structure of the Pepper aptamer in complex with HBC620 | | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Huang, K.Y, Ren, A.M. | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
|
|
4NLD
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | | Descriptor: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | | Authors: | Sheriff, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
|
|
6UF1
 | | Pistol ribozyme transition-state analog vanadate | | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6UFJ
 | | Pistol ribozyme product crystal structure | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ... | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-24 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6UEY
 | | Pistol ribozyme transition-state analog vanadate | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6UFK
 | | Pistol ribozyme product crystal soaked in Mn2+ | | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ... | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-24 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
7XFA
 | | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | Authors: | Shukla, J, Raman, S, Ghosh, K. | | Deposit date: | 2022-04-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
|
|
8IU1
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION | | Authors: | Jinal, S, Amit, K, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
|
|
8ITZ
 | | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | | Authors: | Jinal, S, Amit, K, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
|
|
8ITX
 | | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | | Authors: | Jinal, S, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
|
|
