6I0C
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![BU of 6i0c by Molmil](/molmil-images/mine/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
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![BU of 5nuu by Molmil](/molmil-images/mine/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
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![BU of 6i5h by Molmil](/molmil-images/mine/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
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![BU of 6i5i by Molmil](/molmil-images/mine/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
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![BU of 6i5k by Molmil](/molmil-images/mine/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
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![BU of 6i5l by Molmil](/molmil-images/mine/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
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![BU of 2mpg by Molmil](/molmil-images/mine/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
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![BU of 5boq by Molmil](/molmil-images/mine/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
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![BU of 5bqq by Molmil](/molmil-images/mine/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
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![BU of 8oqx by Molmil](/molmil-images/mine/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
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![BU of 8oqw by Molmil](/molmil-images/mine/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
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![BU of 8ow7 by Molmil](/molmil-images/mine/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
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![BU of 8oqk by Molmil](/molmil-images/mine/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
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![BU of 8ow9 by Molmil](/molmil-images/mine/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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