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PDB: 67 件
6OKB
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BU of 6okb by Molmil
Prohead 2 of the phage T5
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-12
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OMC
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capsid of T5 virion
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OMA
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non-decorated head of the phage T5
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
8FQL
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Portal vertex of HK97 phage
分子名称: Portal protein
著者Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F.
登録日2023-01-06
公開日2023-06-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex.
Sci Adv, 9, 2023
8FQK
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Asymmetric unit of HK97 phage prohead I
分子名称: Scaffolding domain delta
著者Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F.
登録日2023-01-06
公開日2023-06-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex.
Sci Adv, 9, 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
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
7ZII
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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
7ZIK
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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
7ZIJ
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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
7ZIG
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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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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
8CJL
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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
8CJO
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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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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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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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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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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
4ULW
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Crystal structure of the ROQ-domain of human ROQUIN1
分子名称: ROQUIN-1
著者Schuetz, A, Heinemann, U.
登録日2014-05-14
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Roquin Binding to Target Mrnas Involves a Winged Helix-Turn- Helix Motif.
Nat.Commun., 5, 2014
6EKU
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BU of 6eku by Molmil
Vibrio cholerae neuraminidase complexed with zanamivir
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Schuetz, A, Heinemann, U.
登録日2017-09-27
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
6EKS
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BU of 6eks by Molmil
Vibrio cholerae neuraminidase complexed with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Schuetz, A, Heinemann, U.
登録日2017-09-27
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
3TT9
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Crystal structure of the stable degradation fragment of human plakophilin 2 isoform a (PKP2a) C752R variant
分子名称: GLYCEROL, Plakophilin-2
著者Schuetz, A, Roske, Y, Gerull, B, Heinemann, U.
登録日2011-09-14
公開日2012-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular insights into arrhythmogenic right ventricular cardiomyopathy caused by plakophilin-2 missense mutations.
Circ Cardiovasc Genet, 5, 2012
5MR7
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BU of 5mr7 by Molmil
Crystal structure of the DBD domain of human Grhl2
分子名称: Grainyhead-like protein 2 homolog
著者Schuetz, A, Ming, Q, Roske, Y, Heinemann, U.
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
2WBU
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CRYSTAL STRUCTURE OF THE ZINC FINGER DOMAIN OF KLF4 BOUND TO ITS TARGET DNA
分子名称: 5'-D(*DGP*DAP*DGP*DGP*DCP*DGP*DTP* DGP*DGP*DC)-3', 5'-D(*DGP*DCP*DCP*DAP*DCP*DGP*DCP* DCP*DTP*DC)-3', KRUEPPEL-LIKE FACTOR 4, ...
著者Schuetz, A, Zocher, G, Carstanjen, D, Heinemann, U.
登録日2009-03-05
公開日2010-04-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011

 

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