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7H1Y
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554
分子名称: 4-(aminomethyl)-1-methylpyridinium, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.371 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2F
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1491215378
分子名称: DIMETHYL SULFOXIDE, N-(piperidin-4-yl)methanesulfonamide, SULFATE ION, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H20
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899
分子名称: 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2M
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228586974
分子名称: (3-fluorophenyl)(piperazin-1-yl)methanone, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2C
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BU of 7h2c by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1328968520
分子名称: 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2O
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257
分子名称: DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2L
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BU of 7h2l by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z19755216
分子名称: 2-(3-fluorophenoxy)-N,N-dimethylacetamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.366 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2E
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BU of 7h2e by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350
分子名称: (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
1PGJ
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BU of 1pgj by Molmil
X-RAY STRUCTURE OF 6-PHOSPHOGLUCONATE DEHYDROGENASE FROM THE PROTOZOAN PARASITE T. BRUCEI
分子名称: 6-PHOSPHOGLUCONATE DEHYDROGENASE, SULFATE ION
著者Dohnalek, J, Phillips, C, Gover, S, Barrett, M.P, Adams, M.J.
登録日1998-03-16
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献A 2.8 A resolution structure of 6-phosphogluconate dehydrogenase from the protozoan parasite Trypanosoma brucei: comparison with the sheep enzyme accounts for differences in activity with coenzyme and substrate analogues.
J.Mol.Biol., 282, 1998
8FJN
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BU of 8fjn by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group
分子名称: CALCIUM ION, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
著者Frisbie, V.S, Hashimoto, H, Debler, E.W.
登録日2022-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8FJM
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Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group
分子名称: ACETATE ION, CALCIUM ION, Histone-lysine N-methyltransferase, ...
著者Frisbie, V.S, Hashimoto, H, Debler, E.W.
登録日2022-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8FNC
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BU of 8fnc by Molmil
Cryo-EM structure of RNase-treated RESC-C in trypanosomal RNA editing
分子名称: Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ...
著者Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H.
登録日2022-12-27
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
8FNF
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Cryo-EM structure of RNase-untreated RESC-C in trypanosomal RNA editing
分子名称: Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ...
著者Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H.
登録日2022-12-27
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
8E2O
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BU of 8e2o by Molmil
Leveraging the Structure of DNAJA1 to Discover Novel Pancreatic Cancer Therapies
分子名称: Isoform 2 of DnaJ homolog subfamily A member 1
著者Roth, H.E, Powers, R.
登録日2022-08-15
公開日2022-11-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies.
Biomolecules, 12, 2022
8GIL
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BU of 8gil by Molmil
L-threonine 3-Dehydrogenase from Trypanosoma cruzi (apo form)
分子名称: L-threonine 3-dehydrogenase, POTASSIUM ION
著者Faria, J.N, Mercaldi, G.F, Fagundes, M, Bezerra, E.H.S, Cordeiro, A.T.
登録日2023-03-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure, allosteric regulation and metabolic activity of L-threonine 3-Dehydrogenase from Trypanosoma cruzi
To Be Published
7YXD
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BU of 7yxd by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
分子名称: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ...
著者Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-02-15
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXC
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Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
分子名称: Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ...
著者Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-02-15
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7Q15
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Crystal structure of FcRn and beta-2-microglobulin in complex with IgG1-Fc-MST-HN (efgartigimod)
分子名称: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, IgG1-Fc-MST-HN, ...
著者Pannecoucke, E, Savvides, S.N.
登録日2021-10-18
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement.
Nat Commun, 13, 2022
7CN8
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BU of 7cn8 by Molmil
Cryo-EM structure of PCoV_GX spike glycoprotein
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, Glycoprotein, ...
著者Wang, X, Yu, J, Zhang, S, Qiao, S, Zeng, J, Tian, L.
登録日2020-07-30
公開日2021-03-03
最終更新日2021-03-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
1NJJ
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Crystal structure determination of T. brucei ornithine decarboxylase bound to D-ornithine and to G418
分子名称: GENETICIN, N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE, ornithine decarboxylase
著者Jackson, L.K, Goldsmith, E.J, Phillips, M.A.
登録日2002-12-31
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献X-ray Structure Determination of Trypanosoma brucei Ornithine Decarboxylase Bound to D-Ornithine and to G418: INSIGHTS INTO SUBSTRATE BINDING AND ODC CONFORMATIONAL FLEXIBILITY.
J.Biol.Chem., 278, 2003
6Y0D
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BU of 6y0d by Molmil
Crystal structure of Trypanosoma cruzi antigen TcSMP11.90
分子名称: Surface membrane protein
著者Di Pisa, F, Gourlay, L.J, Bolognesi, M, De Benedetti, S.
登録日2020-02-07
公開日2022-02-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Elucidating the 3D Structure of a Surface Membrane Antigen from Trypanosoma cruzi as a Serodiagnostic Biomarker of Chagas Disease.
Vaccines (Basel), 10, 2022
7QFT
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Crystal structure of KLK6 in complex with compound 16a
分子名称: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
著者Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
登録日2021-12-06
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
8FWY
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE
著者Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX3
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
著者Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX1
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
著者Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023

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件を2024-08-14に公開中

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