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2FM2
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HCV NS3-4A protease domain complexed with a ketoamide inhibitor, SCH446211
分子名称: BETA-MERCAPTOETHANOL, NS3 protease/helicase, NS4a protein, ...
著者Yi, M, Tong, X, Skelton, A, Chase, R, Chen, T, Prongay, A, Bogen, S.L, Saksena, A.K, Njoroge, F.G, Veselenak, R.L, Pyles, R.B, Bourne, N, Malcolm, B.A, Lemon, S.M.
登録日2006-01-06
公開日2006-02-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations
J.Biol.Chem., 281, 2006
2L0J
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BU of 2l0j by Molmil
Solid State NMR structure of the M2 proton channel from Influenza A Virus in hydrated lipid bilayer
分子名称: Matrix protein 2
著者Sharma, M, Yi, M, Dong, H, Qin, H, Peterson, E, Busath, D.D, Zhou, H.X, Cross, T.A.
登録日2010-07-08
公開日2010-11-03
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Insight into the mechanism of the influenza a proton channel from a structure in a lipid bilayer.
Science, 330, 2010
4MM0
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BU of 4mm0 by Molmil
Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin
分子名称: P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H.
登録日2013-09-07
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin
To be Published
8JBJ
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Crystal structure of anti-PVRIG Fab
分子名称: antibody heavy chain, antibody light chain
著者Sun, J, Li, X.L, Song, J.
登録日2023-05-09
公開日2023-06-21
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
2MP0
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BU of 2mp0 by Molmil
Protein Phosphorylation upon a Fleeting Encounter
分子名称: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
著者Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
登録日2014-05-08
公開日2014-08-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
2GVF
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BU of 2gvf by Molmil
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
分子名称: (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ...
著者Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V.
登録日2006-05-02
公開日2007-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
8T71
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Crystal Structure of WT KRAS4a with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T74
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Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
7T6E
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BU of 7t6e by Molmil
Cryo-EM of NBD-ffsy filaments (class 1)
分子名称: NBD-ffsy peptide
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2021-12-13
公開日2023-01-25
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
分子名称: MoErs1
著者Wang, F.F, Xing, W.M.
登録日2021-10-25
公開日2023-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
8FOF
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BU of 8fof by Molmil
Cryo-EM of BP-ffsy filaments
分子名称: BP-ffsy
著者Wang, F, Guo, J, Egelman, E.H, Xu, B.
登録日2022-12-30
公開日2023-05-31
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
8DST
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BU of 8dst by Molmil
Cryo-EM of NBD-ffsy filaments (class 2)
分子名称: NBD-ffsy peptide
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2022-07-22
公開日2023-05-31
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
2OBQ
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BU of 2obq by Molmil
Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC0
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Structure of NS3 complexed with a ketoamide inhibitor SCh491762
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC1
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Structure of the HCV NS3/4A Protease Inhibitor CVS4819
分子名称: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBO
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Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
分子名称: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
1Q38
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Anastellin
分子名称: Fibronectin
著者Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R.
登録日2003-07-28
公開日2003-11-04
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
8GI5
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BU of 8gi5 by Molmil
Cryo-EM of self-assembling pyrene peptide with Ca2+
分子名称: Pyrene peptide
著者Rich-New, S.T, Guo, J, Xu, B, Wang, F.
登録日2023-03-13
公開日2023-06-14
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
7UUQ
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Cryo-EM of self-assembling pyrene IDP
分子名称: Pyrene-containing peptide fibril
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2022-04-28
公開日2023-05-10
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023

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