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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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