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1OVM
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BU of 1ovm by Molmil
Crystal structure of Indolepyruvate decarboxylase from Enterobacter cloacae
分子名称: Indole-3-pyruvate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Schutz, A, Sandalova, T, Ricagno, S, Hubner, G, Konig, S, Schneider, G.
登録日2003-03-27
公開日2003-06-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of thiamindiphosphate-dependent indolepyruvate decarboxylase from Enterobacter cloacae, an enzyme involved in the biosynthesis of the plant hormone indole-3-acetic acid
Eur.J.Biochem., 270, 2003
8OMI
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BU of 8omi by Molmil
Crystal structure of the inositol hexakisphosphate kinase EhIP6KA M85 variant in complex with ATP and Mg2+
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schuetz, A, Aguirre, T, Fiedler, D.
登録日2023-03-31
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An unconventional gatekeeper mutation sensitizes inositol hexakisphosphate kinases to an allosteric inhibitor.
Elife, 12, 2023
7ZIH
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BU of 7zih by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128
分子名称: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46890831 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIK
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BU of 7zik by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP533401
分子名称: (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58925915 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZII
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BU of 7zii by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193
分子名称: 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione, FE (III) ION, GLYCEROL, ...
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6280005 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
8CJL
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BU of 8cjl by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004
分子名称: 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
7ZIJ
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BU of 7zij by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080
分子名称: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94678366 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
8CJO
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BU of 8cjo by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004
分子名称: 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.86633706 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
8CJM
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BU of 8cjm by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047
分子名称: 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
8CJK
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BU of 8cjk by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098
分子名称: 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.45914972 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
8CJI
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BU of 8cji by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052
分子名称: FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
8CJJ
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BU of 8cjj by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057
分子名称: 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.66415656 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
8CJN
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BU of 8cjn by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070
分子名称: 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.68080938 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
7ZIG
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BU of 7zig by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060
分子名称: (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.808885 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
7ZIF
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BU of 7zif by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480
分子名称: (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ...
著者Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U.
登録日2022-04-08
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86859715 Å)
主引用文献Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 65, 2022
3ULJ
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BU of 3ulj by Molmil
Crystal structure of apo Lin28B cold shock domain
分子名称: ACETATE ION, GLYCEROL, Lin28b, ...
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-11-10
公開日2012-08-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The Lin28 cold-shock domain remodels pre-let-7 microRNA.
Nucleic Acids Res., 40, 2012
4A4I
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BU of 4a4i by Molmil
Crystal structure of the human Lin28b cold shock domain
分子名称: GLYCEROL, PROTEIN LIN-28 HOMOLOG B, SULFATE ION
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-10-14
公開日2012-08-08
最終更新日2012-09-05
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
4A76
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BU of 4a76 by Molmil
The Lin28b Cold shock domain in complex with heptathymidine
分子名称: 5'-D(*TP*TP*TP*TP*TP*TP*TP)-3', LIN28 COLD SHOCK DOMAIN
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-11-11
公開日2012-09-05
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
4ALP
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BU of 4alp by Molmil
The Lin28b Cold shock domain in complex with hexauridine
分子名称: GLYCEROL, HEXA URIDINE, LIN28 ISOFORM B
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2012-03-05
公開日2012-09-05
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
4A75
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BU of 4a75 by Molmil
The Lin28b Cold shock domain in complex with hexathymidine.
分子名称: 5'-D(*TP*TP*TP*TP*TP*TP)-3', LIN28 COLD SHOCK DOMAIN, THIOCYANATE ION
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-11-11
公開日2012-09-05
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
2YMA
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BU of 2yma by Molmil
X-ray structure of the Yos9 dimerization domain
分子名称: PROTEIN OS-9 HOMOLOG
著者Hanna, J, Schuetz, A, Zimmermann, F, Behlke, J, Sommer, T, Heinemann, U.
登録日2011-06-07
公開日2012-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Structural and Biochemical Basis of Yos9 Protein Dimerization and Possible Contribution to Self-Association of 3-Hydroxy-3-Methylglutaryl-Coenzyme a Reductase Degradation Ubiquitin-Ligase Complex.
J.Biol.Chem., 287, 2012

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