6OP0
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![BU of 6op0 by Molmil](/molmil-images/mine/6op0) | Asymmetric hTNF-alpha | Descriptor: | (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor | Authors: | Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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6OOZ
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![BU of 6ooz by Molmil](/molmil-images/mine/6ooz) | Asymmetric hTNF-alpha | Descriptor: | (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor | Authors: | Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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2AR1
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![BU of 2ar1 by Molmil](/molmil-images/mine/2ar1) | |
3MEQ
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![BU of 3meq by Molmil](/molmil-images/mine/3meq) | Crystal structure of alcohol dehydrogenase from Brucella melitensis | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase, ... | Authors: | Arakaki, T.L, Staker, B.L, Gardberg, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2010-03-31 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of alcohol dehydrogenase from Brucella melitensis To be Published
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2GZQ
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![BU of 2gzq by Molmil](/molmil-images/mine/2gzq) | |
2HQJ
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![BU of 2hqj by Molmil](/molmil-images/mine/2hqj) | |
2B4G
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![BU of 2b4g by Molmil](/molmil-images/mine/2b4g) | dihydroorotate dehydrogenase | Descriptor: | BROMIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-09-23 | Release date: | 2005-10-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies Mol.Microbiol., 68, 2008
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3CSS
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![BU of 3css by Molmil](/molmil-images/mine/3css) | |
6OOY
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![BU of 6ooy by Molmil](/molmil-images/mine/6ooy) | Asymmetric hTNF-alpha | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Tumor necrosis factor, {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol | Authors: | Arakaki, T.L, Edwards, T.E, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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3C61
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![BU of 3c61 by Molmil](/molmil-images/mine/3c61) | Crystal structure of dihydroorotate dehydrogenase from Leishmania donovani | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, AZIDE ION, CHLORIDE ION, ... | Authors: | Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2008-02-01 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dihydroorotate dehydrogenase from Leishmania donovani. To be Published
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3CH7
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![BU of 3ch7 by Molmil](/molmil-images/mine/3ch7) | |
3E3P
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![BU of 3e3p by Molmil](/molmil-images/mine/3e3p) | |
3E15
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![BU of 3e15 by Molmil](/molmil-images/mine/3e15) | |
3FOC
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![BU of 3foc by Molmil](/molmil-images/mine/3foc) | |
1XFB
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![BU of 1xfb by Molmil](/molmil-images/mine/1xfb) | Human Brain Fructose 1,6-(bis)phosphate Aldolase (C isozyme) | Descriptor: | Aldolase C | Authors: | Arakaki, T.L, Pezza, J.A, Cronin, M.A, Hopkins, C.E, Zimmer, D.B, Tolan, D.R, Allen, K.N. | Deposit date: | 2004-09-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of human brain fructose 1,6-(bis)phosphate aldolase: linking isozyme structure with function Protein Sci., 13, 2004
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2A0M
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![BU of 2a0m by Molmil](/molmil-images/mine/2a0m) | |
3U0B
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![BU of 3u0b by Molmil](/molmil-images/mine/3u0b) | Crystal structure of an oxidoreductase from Mycobacterium smegmatis | Descriptor: | Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION | Authors: | Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-09-28 | Release date: | 2011-10-05 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis. Acta Crystallogr.,Sect.F, 80, 2024
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7KP7
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![BU of 7kp7 by Molmil](/molmil-images/mine/7kp7) | asymmetric mTNF-alpha hTNFR1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ... | Authors: | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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7KP9
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![BU of 7kp9 by Molmil](/molmil-images/mine/7kp9) | asymmetric hTNF-alpha | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | Authors: | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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7KP8
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![BU of 7kp8 by Molmil](/molmil-images/mine/7kp8) | asymmetric mTNF-alpha hTNFR1 complex | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A | Authors: | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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3HRK
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![BU of 3hrk by Molmil](/molmil-images/mine/3hrk) | Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex) | Descriptor: | CHLORIDE ION, HISTIDYL-ADENOSINE MONOPHOSPHATE, Histidyl-tRNA synthetase | Authors: | Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-06-09 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs. J.Mol.Biol., 397, 2010
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3HRI
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![BU of 3hri by Molmil](/molmil-images/mine/3hri) | |
3U0A
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![BU of 3u0a by Molmil](/molmil-images/mine/3u0a) | Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum | Descriptor: | Acyl-CoA thioesterase II TesB2, GLYCEROL, SODIUM ION, ... | Authors: | Arakaki, T.L, Staker, B.L, Clifton, M.C, Sankaran, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-09-28 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
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3OUI
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![BU of 3oui by Molmil](/molmil-images/mine/3oui) | PHD2-R717 with 40787422 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | Authors: | Arakaki, T.L, Kim, H. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
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4PJT
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![BU of 4pjt by Molmil](/molmil-images/mine/4pjt) | Structure of PARP1 catalytic domain bound to inhibitor BMN 673 | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | Authors: | Aoyagi-Scharber, M, Gardberg, A.S, Arakaki, T.L. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone. Acta Crystallogr.,Sect.F, 70, 2014
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