6O47
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![BU of 6o47 by Molmil](/molmil-images/mine/6o47) | human cGAS core domain (K427E/K428E) bound with RU-521 | Descriptor: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one, 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, CITRIC ACID, ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2019-02-28 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5XZE
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![BU of 5xze by Molmil](/molmil-images/mine/5xze) | Mouse cGAS bound to the inhibitor RU332 | Descriptor: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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5XZG
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![BU of 5xzg by Molmil](/molmil-images/mine/5xzg) | Mouse cGAS bound to the inhibitor RU521 | Descriptor: | 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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5XZB
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![BU of 5xzb by Molmil](/molmil-images/mine/5xzb) | Mouse cGAS bound to the inhibitor RU365 | Descriptor: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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6EDC
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![BU of 6edc by Molmil](/molmil-images/mine/6edc) | hcGAS-16bp dsDNA complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2018-08-09 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6EDB
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![BU of 6edb by Molmil](/molmil-images/mine/6edb) | Crystal structure of SRY.hcGAS-21bp dsDNA complex | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*GP*GP*GP*AP*TP*CP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*TP*GP*TP*TP*TP*AP*GP*AP*TP*CP*CP*CP*GP*GP*AP*TP*C)-3'), Sex-determining region Y protein,Cyclic GMP-AMP synthase, ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2018-08-09 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6MJX
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![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MJU
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![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-22 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MJW
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![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6DBP
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![BU of 6dbp by Molmil](/molmil-images/mine/6dbp) | |
5IV4
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![BU of 5iv4 by Molmil](/molmil-images/mine/5iv4) | Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric inhibitor LRE1 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Kleinboelting, S, Steegborn, C. | Deposit date: | 2016-03-18 | Release date: | 2016-08-17 | Last modified: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. Nat.Chem.Biol., 12, 2016
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5IV3
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![BU of 5iv3 by Molmil](/molmil-images/mine/5iv3) | Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and the allosteric inhibitor LRE1 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Kleinboelting, S, Steegborn, C. | Deposit date: | 2016-03-18 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. Nat.Chem.Biol., 12, 2016
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