4TL9
 
 | | Crystal structure of N-terminal C1 domain of KaiC | | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | 登録日 | 2014-05-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.822 Å) | | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015
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4TL8
 | | Crystal structure of N-terminal C1 domain of KaiC | | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | 登録日 | 2014-05-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | | 主引用文献 | Atomic-scale origins of slowness in the cyanobacterial circadian clock
Science, 349, 2015
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4TL6
 | | Crystal structure of N-terminal domain of KaiC | | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | 登録日 | 2014-05-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.763 Å) | | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015
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4TLD
 | | Crystal structure of N-terminal C1 domain of KaiC | | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | 登録日 | 2014-05-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | | 主引用文献 | Atomic-scale origins of slowness in the cyanobacterial circadian clock
Science, 349, 2015
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6YS3
 | | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide | | 分子名称: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H. | | 登録日 | 2020-04-20 | | 公開日 | 2020-09-30 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Nat Commun, 2020
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2N30
 | | Structure of Ace-pvhct-NH2 | | 分子名称: | Hemocyanin subunit L2 | | 著者 | Petit, V.W, Rolland, J, Blond, A, Djediat, C, Peduzzi, J, Goulard, C, Bachere, E, Dupont, J, Destoumieux-Garzon, D, Rebuffat, S. | | 登録日 | 2015-05-19 | | 公開日 | 2015-06-17 | | 最終更新日 | 2016-01-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes.
Biochim.Biophys.Acta, 1860, 2015
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8RYS
 | | Human IL-1beta, unliganded | | 分子名称: | Interleukin-1 beta, SULFATE ION | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-09 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-16 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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6ZCI
 | | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | | 分子名称: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | | 著者 | Faller, M. | | 登録日 | 2020-06-11 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | | 主引用文献 | BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
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4KA7
 | | Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate | | 分子名称: | CHLORIDE ION, GLYCEROL, Oligopeptidase A, ... | | 著者 | Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P. | | 登録日 | 2013-04-22 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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6NQB
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4XAQ
 | | mGluR2 ECD and mGluR3 ECD with ligands | | 分子名称: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ... | | 著者 | Clawson, D.K. | | 登録日 | 2014-12-15 | | 公開日 | 2015-02-04 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
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4XAR
 | | mGluR2 ECD and mGluR3 ECD complex with ligands | | 分子名称: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3 | | 著者 | Clawson, D.K. | | 登録日 | 2014-12-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
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8RYK
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-12 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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4XAS
 | | mGluR2 ECD ligand complex | | 分子名称: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | | 著者 | Clawson, D.K. | | 登録日 | 2014-12-15 | | 公開日 | 2015-02-04 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
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6Y0N
 | | Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods | | 分子名称: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y0O
 | | isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods | | 分子名称: | Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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8F1G
 | | Crystal structure of human WDR5 in complex with compound WM662 | | 分子名称: | (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ... | | 著者 | Liu, H. | | 登録日 | 2022-11-05 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
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6YPV
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods | | 分子名称: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-04-16 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y12
 | | Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods | | 分子名称: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-11 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y0Q
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods | | 分子名称: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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4Y73
 | | Crystal structure of IRAK4 kinase domain with inhibitor | | 分子名称: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Lesburg, C.A. | | 登録日 | 2015-02-13 | | 公開日 | 2015-05-20 | | 最終更新日 | 2015-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
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