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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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
Authors: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.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.03 Å)
Cite: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
Descriptor: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
Authors: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.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
Authors: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.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
2CHM
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BU of 2chm by Molmil
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
Descriptor: 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', ...
Authors: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.
Deposit date:2006-03-15
Release date:2006-06-08
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability
J.Med.Chem., 49, 2006
2YLY
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BU of 2yly by Molmil
Sulfonamides as selective Estrogen Receptor beta Agonists.
Descriptor: ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION
Authors: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.
Deposit date:2011-06-06
Release date:2012-06-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
4PIS
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BU of 4pis by Molmil
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease
Authors: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.
Deposit date:2014-05-09
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ...
Authors: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.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ...
Authors: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.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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
Descriptor: N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease
Authors: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.
Deposit date:2014-05-09
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-10-25
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Trimer head HA,Hemagglutinin HA1 chain
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-10-25
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-MI15-sNAp-174
Authors:Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-24
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza N1-CA09-sNAp-155
Authors:Acton, O.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-24
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: I53-50A.1NT1, I53-50B.4PT1
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2019-06-03
Release date:2019-06-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
Authors: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.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.699 Å)
Cite: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
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA
Authors: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.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
Authors: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.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.588 Å)
Cite: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
Descriptor: 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
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
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
Descriptor: 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
Authors:Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2021-05-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
6V8E
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BU of 6v8e by Molmil
Computationally designed C3-symmetric homotrimer from TPR repeat protein
Descriptor: Designed protein
Authors:Sankaran, B, Ueda, G, Zwart, P.H, Baker, D.
Deposit date:2019-12-10
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.53 Å)
Cite: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
Descriptor: HEAT repeat domain-containing protein
Authors:Bick, M.J, Ueda, G, Baker, D.
Deposit date:2020-01-02
Release date:2020-08-05
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (2.303 Å)
Cite: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
Descriptor: T33_dn10A, T33_dn10B
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2020-01-05
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite: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
Descriptor: I53_dn5A, I53_dn5B
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2020-01-05
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.35 Å)
Cite: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
Descriptor: O43_dn18A, O43_dn18B
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2020-01-05
Release date:2020-08-12
Last modified:2020-08-19
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_39
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Method:X-RAY DIFFRACTION (3.61 Å)
Cite: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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