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9EW2
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BU of 9ew2 by Molmil
High resolution structure of FZD7 in complex with miniGs protein
分子名称: Frizzled-7, GNAS complex locus,Isoform 4 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Ggamma, ...
著者Bous, J, Kinsolving, J, Gratz, L, Scharf, M.M, Voss, J, Selcuk, B, Adebali, O, Schulte, G.
登録日2024-04-03
公開日2024-10-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献High resolution structure of FZD7 in complex with miniGs protein
To Be Published
9EPO
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BU of 9epo by Molmil
High resolution structure of FZD7 in inactive conformation
分子名称: CHOLESTEROL HEMISUCCINATE, Frizzled-7, PALMITIC ACID
著者Bous, J, Kinsolving, J, Gratz, L, Scharf, M.M, Voss, J, Selcuk, B, Adebali, O, Schulte, G.
登録日2024-03-19
公開日2024-10-02
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献high-resolution structural characterization of FZD7 unravels the importance of water network and cholesterol for class F GPCRs dynamic and activation
To Be Published
1T2B
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BU of 1t2b by Molmil
Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE
著者Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L.
登録日2004-04-20
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam
Biochemistry, 43, 2004
9FYD
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BU of 9fyd by Molmil
tubulin - cryptophycin-uD[Dab] complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Dessin, C, Schachtsiek, T, Voss, J, Abel, A.-C, Neumann, B, Stammler, H.-G, Prota, A.E, Sewald, N.
登録日2024-07-03
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Highly Cytotoxic Cryptophycin Derivatives with Modification in Unit D for Conjugation.
Angew.Chem.Int.Ed.Engl., 2024
3N44
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BU of 3n44 by Molmil
Crystal structure of the mature envelope glycoprotein complex (trypsin cleavage; Osmium soak) of Chikungunya virus.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, E1 envelope glycoprotein, ...
著者Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-12-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N41
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BU of 3n41 by Molmil
Crystal structure of the mature envelope glycoprotein complex (spontaneous cleavage) of Chikungunya virus.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, ...
著者Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N43
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BU of 3n43 by Molmil
Crystal structures of the mature envelope glycoprotein complex (trypsin cleavage) of Chikungunya virus.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N40
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BU of 3n40 by Molmil
Crystal structure of the immature envelope glycoprotein complex of Chikungunya virus.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N42
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BU of 3n42 by Molmil
Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of Chikungunya virus.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, ...
著者Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
4E20
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BU of 4e20 by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
分子名称: N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide, Non-receptor tyrosine-protein kinase TYK2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2012-03-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
著者Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
登録日2018-08-20
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.648297 Å)
主引用文献Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
6U59
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BU of 6u59 by Molmil
HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ...
著者Yang, Y.R, Ward, A.B.
登録日2019-08-27
公開日2020-01-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
分子名称: Capsid protein VP1
著者Bennett, A.B, Agbandje-Mckenna, M.
登録日2019-02-08
公開日2019-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
4E1Z
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BU of 4e1z by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
分子名称: N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2012-03-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-06-26
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
9C10
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BU of 9c10 by Molmil
AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers
分子名称: (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ...
著者Ghimire-Rijal, S, Mukund, S.
登録日2024-05-28
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献AMG 193, a Clinical Stage MTA-Cooperative PRMT5 Inhibitor, Drives Antitumor Activity Preclinically and in Patients With MTAP-Deleted Cancers.
Cancer Discov, 2024
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
分子名称: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4IVB
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BU of 4ivb by Molmil
JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE
分子名称: Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
著者Eigenbrot, C, Steffek, M.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4IVC
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BU of 4ivc by Molmil
JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE
分子名称: (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4IVD
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BU of 4ivd by Molmil
JAK1 kinase (JH1 domain) in complex with compound 34
分子名称: 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4IVA
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BU of 4iva by Molmil
JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
分子名称: Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4F08
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012

 

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