7SXJ
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![BU of 7sxj by Molmil](/molmil-images/mine/7sxj) | BIO-2895 (BRD0705) bound GSK3beta-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXG
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![BU of 7sxg by Molmil](/molmil-images/mine/7sxg) | BIO-8546 bound GSK3alpha-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXF
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![BU of 7sxf by Molmil](/molmil-images/mine/7sxf) | BIO-2895 (BRD0705) bound GSK3alpha-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXH
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![BU of 7sxh by Molmil](/molmil-images/mine/7sxh) | BIO-8546 bound GSK3beta-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7AS4
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![BU of 7as4 by Molmil](/molmil-images/mine/7as4) | Recombinant human gTuRC | Descriptor: | Actin, cytoplasmic 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Serna, M, Fernandez-Leiro, R, Llorca, O. | Deposit date: | 2020-10-26 | Release date: | 2021-01-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.13 Å) | Cite: | Assembly of the asymmetric human gamma-tubulin ring complex by RUVBL1-RUVBL2 AAA ATPase. Sci Adv, 6, 2020
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4COX
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![BU of 4cox by Molmil](/molmil-images/mine/4cox) | |
5COX
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4TXY
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![BU of 4txy by Molmil](/molmil-images/mine/4txy) | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | Deposit date: | 2014-07-07 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.0001 Å) | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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4TY0
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![BU of 4ty0 by Molmil](/molmil-images/mine/4ty0) | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG | Descriptor: | ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ... | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | Deposit date: | 2014-07-07 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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4TXZ
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![BU of 4txz by Molmil](/molmil-images/mine/4txz) | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | Deposit date: | 2014-07-07 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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3H0R
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![BU of 3h0r by Molmil](/molmil-images/mine/3h0r) | Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINE, ... | Authors: | Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L. | Deposit date: | 2009-04-10 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme J.Mol.Biol., 391, 2009
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8PYY
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6NAO
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![BU of 6nao by Molmil](/molmil-images/mine/6nao) | Discovery of a high affinity inhibitor of cGAS | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | Authors: | Hall, J. | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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5BSM
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5D6N
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![BU of 5d6n by Molmil](/molmil-images/mine/5d6n) | Crystal structure of a mycobacterial protein | Descriptor: | Acyl-CoA synthase | Authors: | Li, W.J, Bi, L.J. | Deposit date: | 2015-08-12 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of FadD32, an enzyme essential for mycolic acid biosynthesis in mycobacteria. Sci Rep, 5, 2015
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8PYX
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8PPP
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2IVP
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![BU of 2ivp by Molmil](/molmil-images/mine/2ivp) | Structure of UP1 protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | Deposit date: | 2006-06-14 | Release date: | 2007-07-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro. Nucleic Acids Res., 35, 2007
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3MLE
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![BU of 3mle by Molmil](/molmil-images/mine/3mle) | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | Descriptor: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-16 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members. Febs J., 279, 2012
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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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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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3LFZ
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![BU of 3lfz by Molmil](/molmil-images/mine/3lfz) | Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A. | Deposit date: | 2010-01-19 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of protein MJ1225 from Methanocaldococcus jannaschii shows strong conservation of key structural features seen in the eukaryal gamma-AMPK. J.Mol.Biol., 65, 2010
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3JU5
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![BU of 3ju5 by Molmil](/molmil-images/mine/3ju5) | Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution | Descriptor: | Arginine kinase, MAGNESIUM ION | Authors: | Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z. | Deposit date: | 2009-09-14 | Release date: | 2009-09-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity Faseb J., 24, 2010
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3JU6
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![BU of 3ju6 by Molmil](/molmil-images/mine/3ju6) | Crystal Structure of Dimeric Arginine Kinase in Complex with AMPPNP and Arginine | Descriptor: | ARGININE, Arginine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z. | Deposit date: | 2009-09-14 | Release date: | 2009-09-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity Faseb J., 24, 2010
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