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PDB: 62 results

3MLI
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BU of 3mli by Molmil
2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242
Descriptor: CALCIUM ION, Putative uncharacterized protein
Authors:King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
Deposit date:2010-04-16
Release date:2010-05-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MLG
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BU of 3mlg by Molmil
2ouf-2x, a designed knotted protein
Descriptor: 2X chimera of Helicobacter pylori protein HP0242
Authors:King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
Deposit date:2010-04-16
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:King, N, Prabu-Jeyabalan, M, Schiffer, C.
Deposit date:2008-09-20
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
1T3R
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BU of 1t3r by Molmil
HIV protease wild-type in complex with TMC114 inhibitor
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, PHOSPHATE ION, protease RETROPEPSIN
Authors:King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigernick, P.B, de Bethune, M.P, Schiffer, C.A.
Deposit date:2004-04-27
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1T7J
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BU of 1t7j by Molmil
crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V)
Descriptor: ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A.
Deposit date:2004-05-10
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1T7I
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BU of 1t7i by Molmil
The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor.
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ...
Authors:King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A.
Deposit date:2004-05-10
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
8C6D
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BU of 8c6d by Molmil
Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
Descriptor: (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, Genome polyprotein, Genome polyprotein (Fragment)
Authors:Kingston, N.J, Snowden, J.S, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M.
Deposit date:2023-01-11
Release date:2023-02-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
Biorxiv, 2023
7ZQ8
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BU of 7zq8 by Molmil
VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=4 VLP)
Descriptor: VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR
Authors:Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J.
Deposit date:2022-04-29
Release date:2023-01-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display.
Msphere, 8, 2023
7ZQA
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BU of 7zqa by Molmil
VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=3* VLP)
Descriptor: VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR
Authors:Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J.
Deposit date:2022-04-29
Release date:2023-01-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display.
Msphere, 8, 2023
9F6A
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BU of 9f6a by Molmil
EVA71 E096A native particle
Descriptor: SPHINGOSINE, VP0, VP1, ...
Authors:Kingston, N.J, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M, Filman, D.J, Snowden, J.S.S.
Deposit date:2024-04-30
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanism of enterovirus VP0 maturation cleavage based on the structure of a stabilised assembly intermediate.
Plos Pathog., 20, 2024
9F5S
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BU of 9f5s by Molmil
EVA71 E096A native particle
Descriptor: SPHINGOSINE, VP0, VP1, ...
Authors:Kingston, N.J, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M, Filman, D.J, Snowden, J.S.S.
Deposit date:2024-04-30
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of enterovirus VP0 maturation cleavage based on the structure of a stabilised assembly intermediate.
Plos Pathog., 20, 2024
4DDF
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BU of 4ddf by Molmil
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4
Descriptor: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
Authors:Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2012-01-18
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
1TSQ
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BU of 1tsq by Molmil
CRYSTAL STRUCTURE OF AP2V SUBSTRATE VARIANT OF NC-P1 DECAMER PEPTIDE IN COMPLEX WITH V82A/D25N HIV-1 PROTEASE MUTANT
Descriptor: ACETATE ION, AP2V NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2004-06-21
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease
J.Virol., 78, 2004
4GXZ
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BU of 4gxz by Molmil
Crystal structure of a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium
Descriptor: Suppression of copper sensitivity protein
Authors:Shepherd, M, Heras, B, King, G.J, Argente, M.P, Achard, M.E.S, King, N.P, McEwan, A.G, Schembri, M.A.
Deposit date:2012-09-04
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and functional characterization of ScsC, a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium
Antioxid Redox Signal, 19, 2013
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
Descriptor: T33-51H-A, T33-51H-B
Authors:Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
Deposit date:2015-07-30
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
Descriptor: Chorismate mutase, Divalent-cation tolerance protein CutA
Authors:Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
Deposit date:2015-04-30
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_60
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_102
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
Last modified:2024-05-22
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
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_65
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_73
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
3VCD
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BU of 3vcd by Molmil
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
Descriptor: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
Authors:Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2012-01-03
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
Descriptor: T33-53H-B
Authors:Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
Deposit date:2017-04-24
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-28.3: A, T33-28.3: B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-18.2 : A, T33-18.2 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024

 

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