1YHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yhl by Molmil](/molmil-images/mine/1yhl) | Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and mg+2 | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | Deposit date: | 2005-01-09 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design. Proteins, 62, 2005
|
|
1YHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yhk by Molmil](/molmil-images/mine/1yhk) | Trypanosoma cruzi farnesyl diphosphate synthase | Descriptor: | SULFATE ION, farnesyl pyrophosphate synthase | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | Deposit date: | 2005-01-09 | Release date: | 2005-12-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design. Proteins, 62, 2005
|
|
1YHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yhm by Molmil](/molmil-images/mine/1yhm) | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | Deposit date: | 2005-01-09 | Release date: | 2005-12-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design. Proteins, 62, 2005
|
|
1H7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h7c by Molmil](/molmil-images/mine/1h7c) | human tubulin chaperone cofactor a | Descriptor: | ACETIC ACID, SULFATE ION, TUBULIN-SPECIFIC CHAPERONE A | Authors: | Guasch, A, Aloria, K, Perez, R, Campo, R, Avila, J, Zabala, J.C, Coll, M. | Deposit date: | 2001-07-04 | Release date: | 2002-06-13 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-Dimensional Structure of Human Tubulin Chaperone Cofactor A J.Mol.Biol., 318, 2002
|
|
2LSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lsc by Molmil](/molmil-images/mine/2lsc) | Solution structure of 2'F-ANA and ANA self-complementary duplex | Descriptor: | DNA (5'-D(*(CFL)P*(GFL)P*(CFL)P*(GFL)P*(A5O)P*(A5O)P*(UAR)P*(UAR)P*(CFL)P*(GFL)P*(CFL)P*(GFL))-3') | Authors: | Martin-Pintado, N, Yahyaee, M, Campos, R, Noronha, A, Wilds, C, Damha, M, Gonzalez, C. | Deposit date: | 2012-04-26 | Release date: | 2012-07-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The solution structure of double helical arabino nucleic acids (ANA and 2'F-ANA): effect of arabinoses in duplex-hairpin interconversion. Nucleic Acids Res., 40, 2012
|
|
2M8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m8a by Molmil](/molmil-images/mine/2m8a) | 2'F-ANA/2'F-RNA alternated sequences | Descriptor: | 2'F-RNA/2'F-ANA chimeric duplex | Authors: | Martin-Pintado, N, Deleavey, G, Portella, G, Campos, R, Orozco, M, Damha, M, Gonzalez, C. | Deposit date: | 2013-05-14 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Backbone FCHO Hydrogen Bonds in 2'F-Substituted Nucleic Acids. Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
2M84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m84 by Molmil](/molmil-images/mine/2m84) | Structure of 2'F-RNA/2'F-ANA chimeric duplex | Descriptor: | 2'F-RNA/2'F-ANA CHIMERIC DUPLEX | Authors: | Martin-Pintado, N, Deleavey, G, Portella, G, Campos, R, Orozco, M, Damha, M, Gonzalez, C. | Deposit date: | 2013-05-07 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Backbone FCHO Hydrogen Bonds in 2'F-Substituted Nucleic Acids. Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
9BQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bqv by Molmil](/molmil-images/mine/9bqv) | DdmD dimer apoprotein | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2024-05-10 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
|
|
8U0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u0j by Molmil](/molmil-images/mine/8u0j) | DdmE in complex with guide and target DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*TP*AP*AP*AP*GP*TP*CP*TP*AP*AP*CP*CP*TP*AP*TP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*CP*TP*AP*TP*AP*GP*GP*A)-3'), DNA (5'-D(P*GP*TP*TP*AP*GP*AP*CP*TP*TP*TP*AP*AP*GP*T)-3'), ... | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
|
|
8U3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u3k by Molmil](/molmil-images/mine/8u3k) | DdmDE handover complex | Descriptor: | DNA (29-MER), DNA (5'-D(P*GP*GP*AP*AP*AP*TP*GP*TP*TP*GP*AP*AP*TP*AP*C)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Bravo, J.P.K. | Deposit date: | 2023-09-07 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
|
|
8U0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u0u by Molmil](/molmil-images/mine/8u0u) | DdmD dimer in complex with ssDNA | Descriptor: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
|
|
8U0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u0w by Molmil](/molmil-images/mine/8u0w) | DdmD monomer in complex with ssDNA | Descriptor: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
|
|
4DXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dxj by Molmil](/molmil-images/mine/4dxj) | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-27 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
4DWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dwb by Molmil](/molmil-images/mine/4dwb) | Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
4DZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dzw by Molmil](/molmil-images/mine/4dzw) | Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-03-01 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
4DWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dwg by Molmil](/molmil-images/mine/4dwg) | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
4E1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e1e by Molmil](/molmil-images/mine/4e1e) | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-03-06 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
3WCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcf by Molmil](/molmil-images/mine/3wcf) | The complex structure of HsSQS wtih ligand,BPH1218 | Descriptor: | Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcj by Molmil](/molmil-images/mine/3wcj) | The complex structure of HsSQS wtih ligand,E5700 | Descriptor: | (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wsa by Molmil](/molmil-images/mine/3wsa) | The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | Descriptor: | N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase | Authors: | Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-03-05 | Release date: | 2015-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SQ109, a new drug lead for Chagas disease. Antimicrob.Agents Chemother., 59, 2015
|
|
3WCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcc by Molmil](/molmil-images/mine/3wcc) | The complex structure of TcSQS with ligand, E5700 | Descriptor: | (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcb by Molmil](/molmil-images/mine/3wcb) | The complex structure of TcSQS with ligand, BPH1237 | Descriptor: | Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcl by Molmil](/molmil-images/mine/3wcl) | The complex structure of HsSQS wtih ligand,BPH1344 | Descriptor: | Squalene synthase, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-28 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wci by Molmil](/molmil-images/mine/3wci) | The complex structure of HsSQS wtih ligand,BPH1325 | Descriptor: | Squalene synthase, hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|
3WCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wcg by Molmil](/molmil-images/mine/3wcg) | The complex structure of TcSQS with ligand, BPH1344 | Descriptor: | Farnesyltransferase, putative, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
|
|