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7SXJ
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BIO-2895 (BRD0705) bound GSK3beta-axin complex
分子名称: (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
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXG
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BU of 7sxg by Molmil
BIO-8546 bound GSK3alpha-axin complex
分子名称: (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
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXF
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BU of 7sxf by Molmil
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ...
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXH
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BU of 7sxh by Molmil
BIO-8546 bound GSK3beta-axin complex
分子名称: (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
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7AS4
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BU of 7as4 by Molmil
Recombinant human gTuRC
分子名称: Actin, cytoplasmic 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Serna, M, Fernandez-Leiro, R, Llorca, O.
登録日2020-10-26
公開日2021-01-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Assembly of the asymmetric human gamma-tubulin ring complex by RUVBL1-RUVBL2 AAA ATPase.
Sci Adv, 6, 2020
4COX
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BU of 4cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4TXY
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BU of 4txy by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.0001 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TY0
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BU of 4ty0 by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG
分子名称: ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ...
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TXZ
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BU of 4txz by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
3H0R
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BU of 3h0r by Molmil
Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINE, ...
著者Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
登録日2009-04-10
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
分子名称: Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-06
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5BSM
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BU of 5bsm by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate
分子名称: 4-coumarate--CoA ligase 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Li, Z, Nair, S.K.
登録日2015-06-02
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5D6N
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BU of 5d6n by Molmil
Crystal structure of a mycobacterial protein
分子名称: Acyl-CoA synthase
著者Li, W.J, Bi, L.J.
登録日2015-08-12
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of FadD32, an enzyme essential for mycolic acid biosynthesis in mycobacteria.
Sci Rep, 5, 2015
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
分子名称: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
著者Tang, Q, Grogan, G.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
著者Tang, Q, Grogan, G.
登録日2023-07-07
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
2IVP
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BU of 2ivp by Molmil
Structure of UP1 protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE
著者Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
登録日2006-06-14
公開日2007-07-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3MLE
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BU of 3mle by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP
分子名称: 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2010-04-16
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
6MJW
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BU of 6mjw by Molmil
human cGAS catalytic domain bound with the inhibitor G150
分子名称: 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
著者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.
登録日2018-09-23
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
6MJX
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BU of 6mjx by Molmil
human cGAS catalytic domain bound with cGAMP
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
著者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.
登録日2018-09-23
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
6MJU
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human cGAS catalytic domain bound with the inhibitor G108
分子名称: 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
著者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.
登録日2018-09-22
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
3LFZ
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BU of 3lfz by Molmil
Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK.
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A.
登録日2010-01-19
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3JU5
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Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution
分子名称: Arginine kinase, MAGNESIUM ION
著者Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
登録日2009-09-14
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
3JU6
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Crystal Structure of Dimeric Arginine Kinase in Complex with AMPPNP and Arginine
分子名称: ARGININE, Arginine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
登録日2009-09-14
公開日2009-09-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010

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