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6I5H
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BU of 6i5h by Molmil
Crystal structure of CLK1 in complex with furanopyrimidin VN412
分子名称: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ...
著者Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
5L3L
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BU of 5l3l by Molmil
D11 bound IGF-II
分子名称: Insulin-like growth factor II
著者Hexnerova, R.
登録日2016-05-23
公開日2016-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L3M
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BU of 5l3m by Molmil
D11 bound [S39_PQ]-IGF-II
分子名称: Insulin-like growth factor II
著者Hexnerova, R.
登録日2016-05-23
公開日2016-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L3N
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BU of 5l3n by Molmil
D11 bound [N29, S39_PQ]-IGF-II
分子名称: Insulin-like growth factor II
著者Hexnerova, R.
登録日2016-05-23
公開日2016-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
6I5L
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BU of 6i5l by Molmil
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)
分子名称: 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
6I5I
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BU of 6i5i by Molmil
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h
分子名称: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
6I5K
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BU of 6i5k by Molmil
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h)
分子名称: 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
2N2X
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BU of 2n2x by Molmil
Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
2N2W
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BU of 2n2w by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
2MPG
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BU of 2mpg by Molmil
Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue
分子名称: Insulin A chain, Insulin B chain
著者Kosinova, L, Jiracek, J, Zakova, L, Veverka, V.
登録日2014-05-17
公開日2014-06-11
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Insight into the structural and biological relevance of the T/R transition of the N-terminus of the B-chain in human insulin.
Biochemistry, 53, 2014
2N2V
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BU of 2n2v by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
5BOQ
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BU of 5boq by Molmil
Human insulin with intra-chain chemical crosslink between modified B24 and B29
分子名称: Insulin, SULFATE ION
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2015-05-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
5BPO
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BU of 5bpo by Molmil
Human insulin with intra-chain chemical crosslink between modified B27 and B29
分子名称: Insulin
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2015-05-28
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
5BQQ
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BU of 5bqq by Molmil
Human insulin with intra-chain chemical crosslink between modified B27 and B30
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2015-05-29
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
8OW7
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BU of 8ow7 by Molmil
Crystal structure of Tannerella forsythia sugar kinase K1058 in complex with N-acetylmuramic acid (MurNAc)
分子名称: N-acetyl-beta-muramic acid, N-acetylglucosamine kinase, SULFATE ION
著者Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G.
登録日2023-04-27
公開日2023-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OW9
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BU of 8ow9 by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK in complex with N-acetylmuramic acid (MurNAc)
分子名称: N-acetyl-beta-muramic acid, Putative novel MurNAc kinase
著者Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G.
登録日2023-04-27
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OQW
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BU of 8oqw by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK
分子名称: ATPase, GLYCEROL, SULFATE ION
著者Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
登録日2023-04-12
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OQX
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BU of 8oqx by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue
分子名称: 1,2-ETHANEDIOL, ATPase, DI(HYDROXYETHYL)ETHER, ...
著者Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
登録日2023-04-12
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OQK
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BU of 8oqk by Molmil
Crystal structure of Tannerella forsythia sugar kinase K1058
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine kinase
著者Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
登録日2023-04-12
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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