5JS7
 
 | | Structural model of a apo G-protein alpha subunit determined with NMR residual dipolar couplings and SAXS | | Descriptor: | Guanine nucleotide-binding protein G(i) subunit alpha-1 | | Authors: | Goricanec, D, Stehle, R, Grigoriu, S, Wagner, G, Hagn, F. | | Deposit date: | 2016-05-07 | | Release date: | 2016-06-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JS8
 | | Structural Model of a Protein alpha subunit in complex with GDP obtained with SAXS and NMR residual couplings | | Descriptor: | Guanine nucleotide-binding protein G(i) subunit alpha-1 | | Authors: | Goricanec, D, Stehle, R, Grigoriu, S, Wagner, G, Hagn, F. | | Deposit date: | 2016-05-07 | | Release date: | 2016-06-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3RJ7
 | | Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... | | Authors: | Spingler, B, Can, D, Alberto, R. | | Deposit date: | 2011-04-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | [(Cp-R)M(CO)(3) ] (M=Re or (99m) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates for Selective Targeting of Human Carbonic Anhydrase IX.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4UXJ
 | | Leishmania major Thymidine Kinase in complex with dTTP | | Descriptor: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2014-08-22 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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4UFZ
 | | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | | Authors: | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | | Deposit date: | 2015-03-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
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4UCO
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCR
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCS
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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3KBK
 | | Epi-isozizaene synthase complexed with Hg | | Descriptor: | CHLORIDE ION, Epi-isozizaene synthase, MERCURY (II) ION, ... | | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
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4LN9
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3KB9
 | | Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
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4LTZ
 | | F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4LUU
 | | V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-25 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4LXW
 | | L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-30 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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1HM7
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1HM4
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6ET5
 | | Reaction centre light harvesting complex 1 from Blc. virids | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Qian, P, Siebert, C.A, Canniffe, D.P, Wang, P, Hunter, C.N. | | Deposit date: | 2017-10-25 | | Release date: | 2018-04-11 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of the Blastochloris viridis LH1-RC complex at 2.9 angstrom.
Nature, 556, 2018
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2AEL
 | | R304K Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-Azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-22 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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2AET
 | | R304K trichodiene synthase: Complex with Mg, pyrophosphate, and (4S)-7-azabisabolene | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-23 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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2AEK
 | | R304K trichodiene synthase | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-22 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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3LG5
 | | F198A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | | Deposit date: | 2010-01-19 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
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4UXI
 | | Leishmania major Thymidine Kinase in complex with thymidine | | Descriptor: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2014-08-22 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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4UXH
 | | Leishmania major Thymidine Kinase in complex with AP5dT | | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION | | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2014-08-22 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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3LGK
 | | D99N Epi-isozizaene synthase | | Descriptor: | Epi-isozizaene synthase, SULFATE ION | | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | | Deposit date: | 2010-01-20 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
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5FUV
 | | catalytic domain of Thymidine kinase from Trypanosoma brucei with dThd | | Descriptor: | GLYCEROL, PHOSPHATE ION, THYMDINE KINASE, ... | | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2016-01-31 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
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