6I0C
 
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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5NUU
 | | Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-05-02 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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8A5X
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6I5H
 | | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | | Authors: | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | 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
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6I5I
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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6I5L
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 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
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2N2X
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2N2W
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2MPG
 | | Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Kosinova, L, Jiracek, J, Zakova, L, Veverka, V. | | Deposit date: | 2014-05-17 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | 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
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2N2V
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5BOQ
 | | Human insulin with intra-chain chemical crosslink between modified B24 and B29 | | Descriptor: | Insulin, SULFATE ION | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2015-05-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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5BQQ
 | | Human insulin with intra-chain chemical crosslink between modified B27 and B30 | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2015-05-29 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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5BPO
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8OQX
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue | | Descriptor: | 1,2-ETHANEDIOL, ATPase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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8OQW
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK | | Descriptor: | ATPase, GLYCEROL, SULFATE ION | | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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8OW7
 | | Crystal structure of Tannerella forsythia sugar kinase K1058 in complex with N-acetylmuramic acid (MurNAc) | | Descriptor: | N-acetyl-beta-muramic acid, N-acetylglucosamine kinase, SULFATE ION | | Authors: | Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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8OQK
 | | Crystal structure of Tannerella forsythia sugar kinase K1058 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine kinase | | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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8OW9
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK in complex with N-acetylmuramic acid (MurNAc) | | Descriptor: | N-acetyl-beta-muramic acid, Putative novel MurNAc kinase | | Authors: | Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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