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7OIU
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BU of 7oiu by Molmil
Inner Membrane Complex (IMC) protomer structure (TrwM/VirB3, TrwK/VirB4, TrwG/VirB8tails) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwG protein, TrwK protein, TrwM protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-05-12
Release date:2022-06-22
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7Q1V
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BU of 7q1v by Molmil
Arches protomer (trimer of TrwG/VirB8peri) structure from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwG protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-10-21
Release date:2022-06-22
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (6.18 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
2RKX
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BU of 2rkx by Molmil
The 3D structure of chain D, cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
Descriptor: Cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
Authors:Tawfik, D, Khersonsky, O, Albeck, S, Dym, O, Israel Structural Proteomics Center (ISPC)
Deposit date:2007-10-18
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kemp elimination catalysts by computational enzyme design.
Nature, 453, 2008
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
Authors:Bale, J.B, Shen, B.W, Stoddard, B.L.
Deposit date:2011-09-29
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
3DMK
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BU of 3dmk by Molmil
Crystal structure of Down Syndrome Cell Adhesion Molecule (DSCAM) isoform 1.30.30, N-terminal eight Ig domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Down Syndrome Cell Adhesion Molecule (DSCAM) isoform 1.30.30, ...
Authors:Sawaya, M.R, Wojtowicz, W.M, Eisenberg, D, Zipursky, S.L.
Deposit date:2008-07-01
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.19 Å)
Cite:A double S shape provides the structural basis for the extraordinary binding specificity of Dscam isoforms.
Cell(Cambridge,Mass.), 134, 2008
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Descriptor: Bot.0671.2, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2017-04-25
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5WOD
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BU of 5wod by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: 38-mer peptide
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
Descriptor: RETROALDOLASE-22
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
6BEN
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BU of 6ben by Molmil
Solution structure of de novo macrocycle design8.2
Descriptor: (DAR)Q(DPR)(DGN)R(DGL)PQ
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
Descriptor: T(DLY)NDT(DSG)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-24
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5AN7
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BU of 5an7 by Molmil
Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor
Descriptor: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, PHOSPHATE ION, RA95.5-8F
Authors:Obexer, R, Mittl, P.R.E, Hilvert, D.
Deposit date:2015-09-04
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
5AOU
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BU of 5aou by Molmil
Structure of the engineered retro-aldolase RA95.5-8F apo
Descriptor: 1,2-ETHANEDIOL, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Obexer, R, Mittl, P, Hilvert, D.
Deposit date:2015-09-11
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
5V7V
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BU of 5v7v by Molmil
Cryo-EM structure of ERAD-associated E3 ubiquitin-protein ligase component HRD3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ERAD-associated E3 ubiquitin-protein ligase component HRD3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Mi, W, Schoebel, S, Stein, A, Rapoport, T.A, Liao, M.
Deposit date:2017-03-20
Release date:2017-08-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3.
Nature, 548, 2017
5V6P
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BU of 5v6p by Molmil
CryoEM structure of the ERAD-associated E3 ubiquitin-protein ligase HRD1
Descriptor: ERAD-associated E3 ubiquitin-protein ligase HRD1
Authors:Schoebel, S, Mi, W, Stein, A, Rapoport, T.A, Liao, M.
Deposit date:2017-03-17
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3.
Nature, 548, 2017
6VL5
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BU of 6vl5 by Molmil
BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
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(7S) - gp120, ...
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
Descriptor: T33_dn2A, T33_dn2B
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2020-01-21
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6XBF
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BU of 6xbf by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G
Descriptor: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G
Authors:Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
Deposit date:2020-06-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XBE
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BU of 6xbe by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F
Descriptor: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F
Authors:Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
Deposit date:2020-06-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XCI
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BU of 6xci by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D
Descriptor: ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ...
Authors:Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
Deposit date:2020-06-08
Release date:2021-03-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
2LAE
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BU of 2lae by Molmil
NMR solution structure of the C-terminal domain of the E. coli lipoprotein BamC
Descriptor: Lipoprotein 34
Authors:Pardi, A, Warner, L.
Deposit date:2011-03-11
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the BamC Two-Domain Protein Obtained by Rosetta with a Limited NMR Data Set.
J.Mol.Biol., 411, 2011

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數據於2024-05-29公開中

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