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4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
分子名称: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
分子名称: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
著者Pluvinage, B, Boraston, A.B, Abbott, W.D.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA0
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BU of 5ta0 by Molmil
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pluvinage, B, Boraston, A.B, Abbott, W.D.
登録日2016-09-09
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA1
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BU of 5ta1 by Molmil
Crystal structure of BuGH86wt
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
分子名称: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
7RP3
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BU of 7rp3 by Molmil
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4ZXO
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BU of 4zxo by Molmil
The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A.
分子名称: Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION
著者Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H.
登録日2015-05-20
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE.
J. Biol. Chem., 292, 2017
4ZUA
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BU of 4zua by Molmil
Crystal structure of the ExsA regulatory domain
分子名称: Exoenzyme S synthesis regulatory protein ExsA
著者Schubot, F.D.
登録日2015-05-15
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa.
Plos One, 10, 2015
5T99
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BU of 5t99 by Molmil
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA5
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BU of 5ta5 by Molmil
Crystal structure of BuGH86wt in complex with neoagarooctaose
分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9X
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BU of 5t9x by Molmil
Crystal structure of BuGH16Bwt
分子名称: Glycoside Hydrolase, IMIDAZOLE, SODIUM ION
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
分子名称: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
著者Li, W.F, Liu, K, Min, J.R.
登録日2023-07-15
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
分子名称: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
著者Liu, K, Li, W.F, Min, J.R.
登録日2023-07-19
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GFM
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BU of 4gfm by Molmil
JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
分子名称: 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2012-08-03
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
分子名称: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
著者Song, X.M, Greene, M.I, Zhou, Z.C.
登録日2012-11-21
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013

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