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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
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
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
2CJI
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BU of 2cji by Molmil
Crystal structure of a Human Factor Xa inhibitor complex
Descriptor: 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J.
Deposit date:2006-04-03
Release date:2006-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
7KXS
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BU of 7kxs by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2020-12-04
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
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
7L90
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BU of 7l90 by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-8 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2021-01-01
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7UNB
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BU of 7unb by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-117 Fab heavy chain, ...
Authors:Hailemariam, S, McLeod, B, Julien, J.-P.
Deposit date:2022-04-10
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Vaccination with a structure-based stabilized version of malarial antigen Pfs48/45 elicits ultra-potent transmission-blocking antibody responses.
Immunity, 55, 2022
6XQW
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BU of 6xqw by Molmil
Crystal Structure of MaliM03 Fab in complex with Pfmsp1-19
Descriptor: MaliM03 Fab Heavy Chain, MaliM03 Fab Light Chain, Pfmsp1-19
Authors:Singh, S, Pancera, M.
Deposit date:2020-07-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Multimeric antibodies from antigen-specific human IgM+ memory B cells restrict Plasmodium parasites.
J.Exp.Med., 218, 2021
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
Descriptor: pRO-2.3
Authors:Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
Deposit date:2018-10-17
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
Descriptor: pRO-2.5
Authors:Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
Deposit date:2018-10-17
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
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
2VH6
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BU of 2vh6 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
Descriptor: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN
Authors:Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
Deposit date:2007-11-19
Release date:2008-12-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
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
8CYK
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BU of 8cyk by Molmil
Crystal structure of hallucinated protein HALC1_878
Descriptor: HALC1_878
Authors:Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
Deposit date:2022-05-23
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_2
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1-H11
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8EK4
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BU of 8ek4 by Molmil
De novo designed ice-binding proteins from twist-constrained helices
Descriptor: Ice-binding protein TIP-99a
Authors:Bera, A.K, De Haas, R.J.
Deposit date:2022-09-19
Release date:2023-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:De novo designed ice-binding proteins from twist-constrained helices.
Proc.Natl.Acad.Sci.USA, 120, 2023
7U0L
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BU of 7u0l by Molmil
Crystal structure of the CCoV-HuPn-2018 RBD (domain B) in complex with canine APN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
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
7USA
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BU of 7usa by Molmil
Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the swung out conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-23
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
7USB
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BU of 7usb by Molmil
CCoV-HuPn-2018 S in the swung out conformation (local refinement of domain 0)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-23
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022

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