4CVY
 
 | | Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | | 分子名称: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | | 著者 | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1.
Acs Chem.Biol., 10, 2015
|
|
7CB3
 | | Crystal structure of type III polyketide synthase from Mycobacterium marinum | | 分子名称: | ACETATE ION, Chalcone/stilbene synthase, MYRISTIC ACID, ... | | 著者 | Pratap, S, Kant, A, Saxena, P, Krishnan, V. | | 登録日 | 2020-06-10 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Crystal structure of type III polyketide synthase from Mycobacterium marinum.
To Be Published
|
|
7D41
 | |
5A32
 | | Electron cryo-microscopy of Cowpea Mosaic Virus containing RNA-1 (CPMVb) | | 分子名称: | RNA2 POLYPROTEIN | | 著者 | Hesketh, E.L, Meshcheriakova, Y, Dent, K.C, Saxena, P, Thompson, R, Cockburn, J.J, Lomonossoff, G.P, Ranson, N.A. | | 登録日 | 2015-05-27 | | 公開日 | 2015-12-23 | | 最終更新日 | 2017-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | | 主引用文献 | Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
|
|
5A33
 | | Electron cryo-microscopy of Cowpea Mosaic Virus (CPMV) empty virus like particle (eVLP) | | 分子名称: | RNA2 POLYPROTEIN | | 著者 | Hesketh, E.L, Meshcheriakova, Y, Dent, K.C, Saxena, P, Thompson, R, Cockburn, J.J, Lomonossoff, G.P, Ranson, N.A. | | 登録日 | 2015-05-27 | | 公開日 | 2015-12-23 | | 最終更新日 | 2017-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
|
|
5FMO
 | | Crystal structure and proteomics analysis of empty virus like particles of Cowpea mosaic virus | | 分子名称: | EMPTY VIRUS LIKE PARTICLES OF COWPEA MOSAIC VIRUS | | 著者 | Huynh, N, Hesketh, E.L, Saxena, P, Meshcheriakova, Y, Ku, Y.C, Hoang, L, Johnson, J.E, Ranson, N.A, Lomonossoff, G.P, Reddy, V.S. | | 登録日 | 2015-11-07 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure and Proteomics Analysis of Empty Virus-Like Particles of Cowpea Mosaic Virus.
Structure, 24, 2016
|
|
4WCF
 | | Trypanosoma brucei PTR1 in complex with inhibitor 9 | | 分子名称: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ... | | 著者 | Mangani, S, Di Pisa, F, Pozzi, C. | | 登録日 | 2014-09-04 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
|
|
5VEB
 | | Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ... | | 著者 | Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T. | | 登録日 | 2017-04-04 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
|
|
4WCD
 | | Trypanosoma brucei PTR1 in complex with inhibitor 10 | | 分子名称: | 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... | | 著者 | Mangani, S, Di Pisa, F, Pozzi, C. | | 登録日 | 2014-09-04 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
|
|
2YHU
 | | Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | | 分子名称: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | 登録日 | 2011-05-06 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
|
|
2YHI
 | | Trypanosoma brucei PTR1 in complex with inhibitor WH16 | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | 著者 | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | 登録日 | 2011-05-03 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
|
|
1TEE
 | |
1TED
 | |
5IZC
 | | Trypanosoma brucei PTR1 in complex with inhibitor F032 | | 分子名称: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | | 登録日 | 2016-03-25 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
|
|
3E1H
 | |
4O1X
 | |
4O1U
 | |
4FGT
 | | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | | 分子名称: | CG peptide, SULFATE ION, Thymidylate synthase | | 著者 | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | 登録日 | 2012-06-04 | | 公開日 | 2013-03-06 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.
J.Med.Chem., 58, 2015
|
|
4P8T
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-04-01 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
4P8N
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118 | | 分子名称: | 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
4P8K
 | |
4P8L
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c | | 分子名称: | 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
4P8C
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
4P8M
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 | | 分子名称: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Neres, J, Pojer, F, Cole, S.T. | | 登録日 | 2014-03-31 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
4JEF
 | |
