5FUW
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![BU of 5fuw by Molmil](/molmil-images/mine/5fuw) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ... | 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 (2.2 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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5FUV
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![BU of 5fuv by Molmil](/molmil-images/mine/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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5FUX
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![BU of 5fux by Molmil](/molmil-images/mine/5fux) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | MAGNESIUM ION, 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 (2.2 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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5L1P
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![BU of 5l1p by Molmil](/molmil-images/mine/5l1p) | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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5L1O
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![BU of 5l1o by Molmil](/molmil-images/mine/5l1o) | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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5L1Q
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![BU of 5l1q by Molmil](/molmil-images/mine/5l1q) | X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F | Descriptor: | Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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5L1S
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![BU of 5l1s by Molmil](/molmil-images/mine/5l1s) | |
5L1W
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![BU of 5l1w by Molmil](/molmil-images/mine/5l1w) | |
8BQP
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![BU of 8bqp by Molmil](/molmil-images/mine/8bqp) | Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQT
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![BU of 8bqt by Molmil](/molmil-images/mine/8bqt) | Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQQ
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![BU of 8bqq by Molmil](/molmil-images/mine/8bqq) | Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQR
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![BU of 8bqr by Molmil](/molmil-images/mine/8bqr) | Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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6ET5
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![BU of 6et5 by Molmil](/molmil-images/mine/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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1HM7
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![BU of 1hm7 by Molmil](/molmil-images/mine/1hm7) | |
1HM4
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![BU of 1hm4 by Molmil](/molmil-images/mine/1hm4) | |
3T60
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![BU of 3t60 by Molmil](/molmil-images/mine/3t60) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3KBK
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![BU of 3kbk by Molmil](/molmil-images/mine/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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3T64
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![BU of 3t64 by Molmil](/molmil-images/mine/3t64) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3KB9
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![BU of 3kb9 by Molmil](/molmil-images/mine/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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3T6Y
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![BU of 3t6y by Molmil](/molmil-images/mine/3t6y) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T70
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![BU of 3t70 by Molmil](/molmil-images/mine/3t70) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3LGK
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![BU of 3lgk by Molmil](/molmil-images/mine/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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4KVY
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![BU of 4kvy by Molmil](/molmil-images/mine/4kvy) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KUX
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![BU of 4kux by Molmil](/molmil-images/mine/4kux) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) | Descriptor: | Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KVI
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![BU of 4kvi by Molmil](/molmil-images/mine/4kvi) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium | Descriptor: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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