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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8IL7
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![BU of 8il7 by Molmil](/molmil-images/mine/8il7) | |
6DMQ
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![BU of 6dmq by Molmil](/molmil-images/mine/6dmq) | |
6WOJ
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![BU of 6woj by Molmil](/molmil-images/mine/6woj) | Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R. | Deposit date: | 2020-04-24 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase. J.Virol., 95, 2021
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3VDP
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![BU of 3vdp by Molmil](/molmil-images/mine/3vdp) | |
3VE5
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![BU of 3ve5 by Molmil](/molmil-images/mine/3ve5) | |
3VDU
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![BU of 3vdu by Molmil](/molmil-images/mine/3vdu) | |
8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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2RVH
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![BU of 2rvh by Molmil](/molmil-images/mine/2rvh) | NMR structure of eIF1 | Descriptor: | Eukaryotic translation initiation factor eIF-1 | Authors: | Nagata, T, Obayashi, E, Asano, K. | Deposit date: | 2015-10-16 | Release date: | 2016-10-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular Landscape of the Ribosome Pre-initiation Complex during mRNA Scanning: Structural Role for eIF3c and Its Control by eIF5 Cell Rep, 18, 2017
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6KMO
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![BU of 6kmo by Molmil](/molmil-images/mine/6kmo) | |
6DMM
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![BU of 6dmm by Molmil](/molmil-images/mine/6dmm) | Crystal structure of the G23A mutant of human alpha defensin HNP4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-06-05 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019
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7BPK
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![BU of 7bpk by Molmil](/molmil-images/mine/7bpk) | Zika virus envelope protein mutant bound to mAb | Descriptor: | Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain | Authors: | Dai, L, Qi, J, Gao, G.F. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch. Nat.Immunol., 22, 2021
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7BQ5
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![BU of 7bq5 by Molmil](/molmil-images/mine/7bq5) | ZIKV sE bound to mAb Z6 | Descriptor: | Z6 Light Chain, Z6 heavy chain, envelope protein | Authors: | Dai, L, Qi, J, Gao, G.F. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch. Nat.Immunol., 22, 2021
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5K7C
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![BU of 5k7c by Molmil](/molmil-images/mine/5k7c) | The native structure of native pistol ribozyme | Descriptor: | DNA/RNA 11-MER, MAGNESIUM ION, RNA 47-MER | Authors: | Ren, A, Patel, D. | Deposit date: | 2016-05-26 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage. Nat.Chem.Biol., 12, 2016
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5K7D
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![BU of 5k7d by Molmil](/molmil-images/mine/5k7d) | The structure of native pistol ribozyme, bound to Iridium | Descriptor: | DNA/RNA 11-MER, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | Authors: | Ren, A, Patel, D. | Deposit date: | 2016-05-26 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage. Nat.Chem.Biol., 12, 2016
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9BK2
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![BU of 9bk2 by Molmil](/molmil-images/mine/9bk2) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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7CB0
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![BU of 7cb0 by Molmil](/molmil-images/mine/7cb0) | |
7CB5
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![BU of 7cb5 by Molmil](/molmil-images/mine/7cb5) | |
7CB6
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![BU of 7cb6 by Molmil](/molmil-images/mine/7cb6) | |
6NTY
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![BU of 6nty by Molmil](/molmil-images/mine/6nty) | 2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain | Descriptor: | PHOSPHATE ION, RNA-binding protein Musashi homolog 2 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 88, 2020
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2JVN
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![BU of 2jvn by Molmil](/molmil-images/mine/2jvn) | Domain C of human PARP-1 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Hoffman, D, Tao, Z, Liu, H. | Deposit date: | 2007-09-24 | Release date: | 2008-05-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif. Biochemistry, 47, 2008
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8HR7
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![BU of 8hr7 by Molmil](/molmil-images/mine/8hr7) | Structure of RdrA-RdrB complex | Descriptor: | Adenosine deaminase, Archaeal ATPase | Authors: | Gao, Y. | Deposit date: | 2022-12-15 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Molecular basis of RADAR anti-phage supramolecular assemblies. Cell, 186, 2023
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8HRB
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![BU of 8hrb by Molmil](/molmil-images/mine/8hrb) | Structure of tetradecameric RdrA ring in RNA-loading state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*GP*UP*CP*AP*UP*CP*GP*CP*UP*GP*GP*AP*C)-3') | Authors: | Gao, Y. | Deposit date: | 2022-12-15 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Molecular basis of RADAR anti-phage supramolecular assemblies. Cell, 186, 2023
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