5TVA
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![BU of 5tva by Molmil](/molmil-images/mine/5tva) | A. aeolicus BioW with AMP and CoA | Descriptor: | 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | Deposit date: | 2016-11-08 | Release date: | 2016-12-07 | Last modified: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes. Nat. Chem. Biol., 13, 2017
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6SIX
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![BU of 6six by Molmil](/molmil-images/mine/6six) | PaaK family AMP-ligase with ANP | Descriptor: | 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6FD9
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![BU of 6fd9 by Molmil](/molmil-images/mine/6fd9) | Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP phosphoribosyltransferase | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | Deposit date: | 2017-12-22 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase Acs Catalysis, 2018
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6PSP
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7LZ3
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![BU of 7lz3 by Molmil](/molmil-images/mine/7lz3) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2021-03-08 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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6SIZ
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![BU of 6siz by Molmil](/molmil-images/mine/6siz) | PaaK family AMP-ligase with ANP and substrate | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, AMP-dependent synthetase and ligase, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6U2G
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![BU of 6u2g by Molmil](/molmil-images/mine/6u2g) | BRAF-MEK complex with AMP-PCP bound to BRAF | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | Deposit date: | 2019-08-19 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.886 Å) | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
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3C9S
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![BU of 3c9s by Molmil](/molmil-images/mine/3c9s) | AaThiL complexed with AMPPCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Thiamine monophosphate kinase | Authors: | McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-02-18 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies of thiamin monophosphate kinase in complex with substrates and products. Biochemistry, 47, 2008
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3C9T
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![BU of 3c9t by Molmil](/molmil-images/mine/3c9t) | AaThiL complexed with AMPPCP and TMP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, THIAMIN PHOSPHATE, ... | Authors: | McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-02-18 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural studies of thiamin monophosphate kinase in complex with substrates and products. Biochemistry, 47, 2008
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3LLA
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![BU of 3lla by Molmil](/molmil-images/mine/3lla) | |
5N5U
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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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6MMO
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5MPB
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![BU of 5mpb by Molmil](/molmil-images/mine/5mpb) | 26S proteasome in presence of AMP-PNP (s3) | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | Deposit date: | 2016-12-16 | Release date: | 2017-03-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7DOQ
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![BU of 7doq by Molmil](/molmil-images/mine/7doq) | Lp major histidine acid phosphatase mutant D281A/5'-AMP | Descriptor: | Acid phosphatase, PHOSPHATE ION | Authors: | Guo, Y, Teng, Y. | Deposit date: | 2020-12-16 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila. Biochem.Biophys.Res.Commun., 540, 2021
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6GZO
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![BU of 6gzo by Molmil](/molmil-images/mine/6gzo) | Crystal structure of NadR protein in complex with NAD and AMP-PNP | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, PHOSPHATE ION, ... | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-07-04 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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8A2K
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![BU of 8a2k by Molmil](/molmil-images/mine/8a2k) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2J
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![BU of 8a2j by Molmil](/molmil-images/mine/8a2j) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2I
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![BU of 8a2i by Molmil](/molmil-images/mine/8a2i) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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3SP1
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6S2U
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4G0Y
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![BU of 4g0y by Molmil](/molmil-images/mine/4g0y) | Crystal structure of Arabidopsis AGO1 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Protein argonaute 1 | Authors: | Frank, F, Hauver, J, Sonenberg, N, Nagar, B. | Deposit date: | 2012-07-10 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs. Embo J., 31, 2012
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4GX3
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7YQ1
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![BU of 7yq1 by Molmil](/molmil-images/mine/7yq1) | Crystal structure of adenosine 5'-phosphosulfate kinase from Archaeoglobus fulgidus in complex with AMP-PNP and APS | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, Adenylyl-sulfate kinase, BORIC ACID, ... | Authors: | Kawakami, T, Teramoto, T, Kakuta, Y. | Deposit date: | 2022-08-05 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of adenosine 5'-phosphosulfate kinase isolated from Archaeoglobus fulgidus. Biochem.Biophys.Res.Commun., 643, 2022
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6RZ1
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