3W40
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![BU of 3w40 by Molmil](/molmil-images/mine/3w40) | Crystal structure of RsbX in complex with magnesium in space group P1 | Descriptor: | MAGNESIUM ION, Phosphoserine phosphatase RsbX | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | Deposit date: | 2013-01-04 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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3WLA
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![BU of 3wla by Molmil](/molmil-images/mine/3wla) | Crystal Structure of sOPH Native | Descriptor: | Oxidized polyvinyl alcohol hydrolase, SULFATE ION | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C. | Deposit date: | 2013-11-08 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into enzymatic degradation of oxidized polyvinyl alcohol Chembiochem, 15, 2014
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3WQM
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![BU of 3wqm by Molmil](/molmil-images/mine/3wqm) | Crystal structure of Rv3378c with inhibitor BPH-629 | Descriptor: | Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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3WDG
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![BU of 3wdg by Molmil](/molmil-images/mine/3wdg) | Staphylococcus aureus UDG / UGI complex | Descriptor: | Uncharacterized protein, Uracil-DNA glycosylase | Authors: | Wang, H.C, Ko, T.P, Wang, A.H.J. | Deposit date: | 2013-06-18 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylococcus aureus protein SAUGI acts as a uracil-DNA glycosylase inhibitor. Nucleic Acids Res., 42, 2013
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3WDF
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![BU of 3wdf by Molmil](/molmil-images/mine/3wdf) | Staphylococcus aureus UDG | Descriptor: | Uracil-DNA glycosylase | Authors: | Wang, H.C, Ko, T.P, Wang, A.H.J. | Deposit date: | 2013-06-18 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Staphylococcus aureus protein SAUGI acts as a uracil-DNA glycosylase inhibitor. Nucleic Acids Res., 42, 2013
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3WEK
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![BU of 3wek by Molmil](/molmil-images/mine/3wek) | Crystal structure of the human squalene synthase F288L mutant in complex with presqualene pyrophosphate | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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3W43
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![BU of 3w43 by Molmil](/molmil-images/mine/3w43) | Crystal structure of RsbX in complex with manganese in space group P21 | Descriptor: | MANGANESE (II) ION, Phosphoserine phosphatase RsbX | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | Deposit date: | 2013-01-04 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
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3W52
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![BU of 3w52 by Molmil](/molmil-images/mine/3w52) | Zinc-dependent bifunctional nuclease | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Endonuclease 2, ... | Authors: | Chou, T.L, Ko, T.P, Ko, C.Y, Shaw, J.F, Wang, A.H.J. | Deposit date: | 2013-01-18 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mechanistic insights to catalysis by a zinc-dependent bi-functional nuclease from Arabidopsis thaliana BIOCATAL AGRIC BIOTECHNOL, 2013
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3WL7
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![BU of 3wl7 by Molmil](/molmil-images/mine/3wl7) | The complex structure of pOPH S172C with ligand, ACA | Descriptor: | CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, pentane-2,4-dione | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C. | Deposit date: | 2013-11-08 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural insights into enzymatic degradation of oxidized polyvinyl alcohol Chembiochem, 15, 2014
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM8
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![BU of 2ym8 by Molmil](/molmil-images/mine/2ym8) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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3WEF
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![BU of 3wef by Molmil](/molmil-images/mine/3wef) | Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate | Descriptor: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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3WL6
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![BU of 3wl6 by Molmil](/molmil-images/mine/3wl6) | Crystal Structure of pOPH Native | Descriptor: | CITRIC ACID, Oxidized polyvinyl alcohol hydrolase | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C. | Deposit date: | 2013-11-08 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into enzymatic degradation of oxidized polyvinyl alcohol Chembiochem, 15, 2014
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3W45
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![BU of 3w45 by Molmil](/molmil-images/mine/3w45) | Crystal structure of RsbX in complex with cobalt in space group P1 | Descriptor: | COBALT (II) ION, Phosphoserine phosphatase RsbX | Authors: | Makino, M, Teh, A.H, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | Deposit date: | 2013-01-04 | Release date: | 2014-01-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
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3WQN
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![BU of 3wqn by Molmil](/molmil-images/mine/3wqn) | Crystal structure of Rv3378c_Y51F with TPP | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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3W7F
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![BU of 3w7f by Molmil](/molmil-images/mine/3w7f) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus aureus complexed with farnesyl thiopyrophosphate | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence. Science, 319, 2008
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3WEJ
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![BU of 3wej by Molmil](/molmil-images/mine/3wej) | Crystal structure of the human squalene synthase F288A mutant in complex with presqualene pyrophosphate | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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3WFX
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![BU of 3wfx by Molmil](/molmil-images/mine/3wfx) | Crystal Structure of the Imidazole-Bound Form of the HGbRL's Globin Domain | Descriptor: | HEXANE-1,6-DIOL, Hemoglobin-like flavoprotein fused to Roadblock/LC7 domain, IMIDAZOLE, ... | Authors: | Teh, A.H. | Deposit date: | 2013-07-24 | Release date: | 2014-08-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Open and Lys-His Hexacoordinated Closed Structures of a Globin with Swapped Proximal and Distal Sites. Sci Rep, 5, 2015
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3WH0
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![BU of 3wh0 by Molmil](/molmil-images/mine/3wh0) | Structure of Pin1 Complex with 18-crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-08-20 | Release date: | 2014-10-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
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3ZS7
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![BU of 3zs7 by Molmil](/molmil-images/mine/3zs7) | Crystal structure of pyridoxal kinase from Trypanosoma brucei | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYRIDOXAL KINASE | Authors: | Alphey, M.S, Jones, D.C, Fairlamb, A.H. | Deposit date: | 2011-06-23 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chemical, Genetic and Structural Assessment of Pyridoxal Kinase as a Drug Target in the African Trypanosome. Mol.Microbiol., 86, 2012
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403D
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![BU of 403d by Molmil](/molmil-images/mine/403d) | 5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(IGU)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J. | Deposit date: | 1998-06-10 | Release date: | 1998-07-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis. Biochemistry, 37, 1998
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440D
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![BU of 440d by Molmil](/molmil-images/mine/440d) | |
4A2Z
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![BU of 4a2z by Molmil](/molmil-images/mine/4a2z) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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