1BAV
| |
6UZY
| Cryo-EM structure of Xenopus tropicalis pannexin 1 | 分子名称: | HEXADECANE, Pannexin, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | 著者 | Deng, Z, He, Z, Yuan, P. | 登録日 | 2019-11-15 | 公開日 | 2020-04-01 | 最終更新日 | 2020-04-22 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | Cryo-EM structures of the ATP release channel pannexin 1. Nat.Struct.Mol.Biol., 27, 2020
|
|
6NBP
| Crystal Structure of a Sugar N-Formyltransferase from the Plant Pathogen Pantoea ananatis | 分子名称: | N-formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PHOSPHATE ION, ... | 著者 | Hofmeister, D.L, Thoden, J.B, Holden, H.M. | 登録日 | 2018-12-09 | 公開日 | 2018-12-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Investigation of a sugar N-formyltransferase from the plant pathogen Pantoea ananatis. Protein Sci., 28, 2019
|
|
1C8F
| |
1C8G
| |
5HG0
| Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis complex with SAM | 分子名称: | Pantothenate synthetase, S-ADENOSYLMETHIONINE | 著者 | Chang, C, Maltseva, N, Kim, Y, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-01-07 | 公開日 | 2016-01-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis complex with SAM To Be Published
|
|
6Z7C
| Variant Surface Glycoprotein VSGsur mutant H122A | 分子名称: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2020-05-30 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
|
|
6Z7E
| |
6Z7B
| Variant Surface Glycoprotein VSGsur bound to suramin | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E, Jeffrey, P. | 登録日 | 2020-05-30 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
|
|
6Z7D
| |
6Z79
| Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks. | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2020-05-30 | 公開日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
|
|
5I2G
| 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | 分子名称: | Diol dehydratase, S-1,2-PROPANEDIOL | 著者 | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | 登録日 | 2016-02-08 | 公開日 | 2016-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY. J.Biol.Chem., 291, 2016
|
|
6NIM
| Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | 分子名称: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | 著者 | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-29 | 公開日 | 2019-01-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine to be published
|
|
8RTH
| Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase | 分子名称: | 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ... | 著者 | Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C. | 登録日 | 2024-01-26 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.37 Å) | 主引用文献 | The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function. Structure, 2024
|
|
6NEZ
| Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | 著者 | Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-18 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 to be published
|
|
2HCZ
| |
2IIT
| Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | 分子名称: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scapin, G, Biftu, T, Weber, A.E. | 登録日 | 2006-09-28 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
|
|
5V6S
| Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C | 分子名称: | 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | 登録日 | 2017-03-17 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes. Biochemistry, 56, 2017
|
|
5HVV
| |
7JX9
| The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. | 分子名称: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... | 著者 | Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. | 登録日 | 2020-08-26 | 公開日 | 2021-01-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ). Acs Chem.Biol., 16, 2021
|
|
1PSP
| PANCREATIC SPASMOLYTIC POLYPEPTIDE: FIRST THREE-DIMENSIONAL STRUCTURE OF A MEMBER OF THE MAMMALIAN TREFOIL FAMILY OF PEPTIDES | 分子名称: | PANCREATIC SPASMOLYTIC POLYPEPTIDE | 著者 | Gajhede, M, Petersen, T.N, Henriksen, A, Petersen, J.F.W, Dauter, Z, Wilson, K.S, Thim, L. | 登録日 | 1994-01-05 | 公開日 | 1994-04-30 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Pancreatic spasmolytic polypeptide: first three-dimensional structure of a member of the mammalian trefoil family of peptides. Structure, 1, 1993
|
|
3RIK
| The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | 分子名称: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | 著者 | Orwig, S.D, Lieberman, R.L. | 登録日 | 2011-04-13 | 公開日 | 2012-03-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease Biochemistry, 50, 2011
|
|
5UMJ
| |
5J5A
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556) | 分子名称: | METHIONINE, Methionyl-tRNA synthetase, putative, ... | 著者 | Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J. | 登録日 | 2016-04-01 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
|
|
5I8T
| Structure of Mouse Acireductone dioxygenase with Ni2+ ion and D-lactic acid in the active site | 分子名称: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, ISOPROPYL ALCOHOL, LACTIC ACID, ... | 著者 | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | 登録日 | 2016-02-19 | 公開日 | 2016-03-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
|
|