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4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4AQ3
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BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
著者Bertrand, J.A, Fasolini, M, Modugno, M.
登録日2012-04-12
公開日2012-06-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
4H3G
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BU of 4h3g by Molmil
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
分子名称: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H3J
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BU of 4h3j by Molmil
Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile
分子名称: 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-10-17
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
5E92
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BU of 5e92 by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
7MTB
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BU of 7mtb by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab6
分子名称: Fab6 heavy chain, Fab6 light chain, RETINAL, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT8
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BU of 7mt8 by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin
分子名称: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MTA
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BU of 7mta by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab1
分子名称: Fab1 Heavy chain, Fab1 Light chain, RETINAL, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT9
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BU of 7mt9 by Molmil
Rhodopsin kinase (GRK1) in complex with rhodopsin
分子名称: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
5E8S
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BU of 5e8s by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT)
分子名称: TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8Z
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BU of 5e8z by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
7MUQ
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BU of 7muq by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 1
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUV
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BU of 7muv by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 3
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUY
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BU of 7muy by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 5
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUD
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BU of 7mud by Molmil
Legionella pneumophila Dot/Icm T4SS OMC
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUW
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BU of 7muw by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 4
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUC
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BU of 7muc by Molmil
Legionella pneumophila Dot/Icm T4SS C1 Reconstruction
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUS
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BU of 7mus by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 2
分子名称: DUF2807 domain-containing protein, DotC, DotD, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUE
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BU of 7mue by Molmil
Legionella pneumophila Dot/Icm T4SS PR
分子名称: DotF, IcmE protein, Type IV secretion protein IcmK, ...
著者Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
登録日2021-05-14
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
5ZXV
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BU of 5zxv by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
分子名称: MERS-CoV RBD, heavy chain, light chain
著者Zhang, S, Wang, X.
登録日2018-05-21
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.482 Å)
主引用文献Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
5E8W
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BU of 5e8w by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH STAUROSPORINE
分子名称: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
4FLN
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BU of 4fln by Molmil
Crystal structure of plant protease Deg2
分子名称: Protease Do-like 2, chloroplastic, Unknown peptide
著者Gong, W, Liu, L, Sun, R, Gao, F.
登録日2012-06-15
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Arabidopsis deg2 protein reveals an internal PDZ ligand locking the hexameric resting state.
J.Biol.Chem., 287, 2012
5XMF
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BU of 5xmf by Molmil
Crystal structure of feline MHC class I for 2,1 angstrom
分子名称: Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain
著者Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C.
登録日2017-05-15
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
分子名称: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
登録日1998-12-02
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000

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