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4WX4
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BU of 4wx4 by Molmil
Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
分子名称: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
2YLY
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BU of 2yly by Molmil
Sulfonamides as selective Estrogen Receptor beta Agonists.
分子名称: ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION
著者Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C.
登録日2011-06-06
公開日2012-06-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
2CHM
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BU of 2chm by Molmil
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ...
著者Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W.
登録日2006-03-15
公開日2006-06-08
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability
J.Med.Chem., 49, 2006
4PIS
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BU of 4pis by Molmil
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
分子名称: N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-09
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PIE
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BU of 4pie by Molmil
Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor
分子名称: ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ...
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-08
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PID
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BU of 4pid by Molmil
Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor
分子名称: ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ...
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-08
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PIQ
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BU of 4piq by Molmil
Crystal structure of human adenovirus 8 protease with a nitrile inhibitor
分子名称: N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-09
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
8UR7
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BU of 8ur7 by Molmil
I53_dn5 nanoparticle displaying the trimeric HA heads with heptad domain, TH-6heptad-I53_dn5 (local refinement of TH-6heptad)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-10-25
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Antigen spacing on protein nanoparticles influences antibody responses to vaccination.
Cell Rep, 42, 2023
8UR5
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BU of 8ur5 by Molmil
I53_dn5 nanoparticle displaying the trimeric HA heads with heptad domain, TH-1heptad-I53_dn5 (local refinement of TH-1heptad)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-10-25
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antigen spacing on protein nanoparticles influences antibody responses to vaccination.
Cell Rep, 42, 2023
7U2T
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BU of 7u2t by Molmil
Influenza Neuraminidase N1-MI15-sNAp-174
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-MI15-sNAp-174
著者Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-24
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure-based design of stabilized recombinant influenza neuraminidase tetramers.
Nat Commun, 13, 2022
7U2Q
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BU of 7u2q by Molmil
Influenza Neuraminidase N1-CA09-sNAp-155
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-CA09-sNAp-155
著者Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-24
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of stabilized recombinant influenza neuraminidase tetramers.
Nat Commun, 13, 2022
6P6F
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BU of 6p6f by Molmil
BG505 SOSIP-I53-50NP
分子名称: I53-50A.1NT1, I53-50B.4PT1
著者Berndsen, Z.T, Ward, A.B.
登録日2019-06-03
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Enhancing and shaping the immunogenicity of native-like HIV-1 envelope trimers with a two-component protein nanoparticle.
Nat Commun, 10, 2019
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
分子名称: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.699 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5IM6
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BU of 5im6 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
分子名称: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.588 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5IM4
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BU of 5im4 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
分子名称: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
著者Swain, N, Chrencik, J.
登録日2016-05-26
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
6V8E
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BU of 6v8e by Molmil
Computationally designed C3-symmetric homotrimer from TPR repeat protein
分子名称: Designed protein
著者Sankaran, B, Ueda, G, Zwart, P.H, Baker, D.
登録日2019-12-10
公開日2020-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VEH
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BU of 6veh by Molmil
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
分子名称: HEAT repeat domain-containing protein
著者Bick, M.J, Ueda, G, Baker, D.
登録日2020-01-02
公開日2020-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VFJ
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BU of 6vfj by Molmil
De novo designed icosahedral nanoparticle I53_dn5
分子名称: I53_dn5A, I53_dn5B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.35 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VFH
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BU of 6vfh by Molmil
De novo designed tetrahedral nanoparticle T33_dn10
分子名称: T33_dn10A, T33_dn10B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VFI
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BU of 6vfi by Molmil
De novo designed octahedral nanoparticle O43_dn18
分子名称: O43_dn18A, O43_dn18B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2020-08-19
実験手法ELECTRON MICROSCOPY (4.54 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
7KNA
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BU of 7kna by Molmil
Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle
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, Hemagglutinin,I53_dn5
著者Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-11-04
公開日2021-03-31
最終更新日2021-05-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_39
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023

 

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