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8VL3
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BU of 8vl3 by Molmil
Solution NMR structure of de novo designed protein F3 parent
Descriptor: De novo designed protein F3 parent
Authors:McShan, A.C, Simma, M.K.
Deposit date:2024-01-11
Release date:2024-08-07
Last modified:2024-12-04
Method:SOLUTION NMR
Cite:Multistate and functional protein design using RoseTTAFold sequence space diffusion.
Nat.Biotechnol., 2024
8URE
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BU of 8ure by Molmil
CryoEM Structure of Allosterically Switchable De Novo Protein sr312, in Open State with Effector Peptide
Descriptor: Effector peptide cs221B, sr312
Authors:Weidle, C, Skotheim, R.
Deposit date:2023-10-25
Release date:2024-08-14
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:De novo design of allosterically switchable protein assemblies.
Nature, 632, 2024
8VL4
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BU of 8vl4 by Molmil
Solution NMR Structure of de novo design protein 312 parent
Descriptor: De novo design protein 312 parent
Authors:McShan, A.C, Simma, M.K.
Deposit date:2024-01-11
Release date:2024-08-07
Last modified:2024-12-04
Method:SOLUTION NMR
Cite:Multistate and functional protein design using RoseTTAFold sequence space diffusion.
Nat.Biotechnol., 2024
8UTM
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BU of 8utm by Molmil
CryoEM Structure of Allosterically Switchable De Novo Protein sr322, In Closed State without Effector Peptide, off Target Multimeric State
Descriptor: de novo protein sr322
Authors:Weidle, C, Borst, A.
Deposit date:2023-10-31
Release date:2024-08-14
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:De novo design of allosterically switchable protein assemblies.
Nature, 632, 2024
3T59
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BU of 3t59 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
3KO2
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BU of 3ko2 by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-7C)
Descriptor: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*GP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*CP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2009-11-13
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
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
7UNJ
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BU of 7unj by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
Descriptor: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 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:2024-10-30
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
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
Authors:Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-08
Release date:2012-05-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3Q6O
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BU of 3q6o by Molmil
Oxidoreductase Fragment of Human QSOX1
Descriptor: SULFATE ION, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A.
Deposit date:2011-01-03
Release date:2012-05-30
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
3QD9
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BU of 3qd9 by Molmil
C72S/C353S mutant of Trypanosoma brucei QSOX containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, QSOX from Trypanosoma brucei (TbQSOX)
Authors:Alon, A, Fass, D.
Deposit date:2011-01-18
Release date:2012-05-30
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
3LEF
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BU of 3lef by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1Z6NA_001
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein 4E10_S0_1Z6NA_001 (T18)
Authors:Holmes, M.A.
Deposit date:2010-01-14
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
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:2024-07-17
Method:ELECTRON MICROSCOPY (6.18 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
3LHP
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BU of 3lhp by Molmil
Crystal structure of HIV epitope-scaffold 4E10_D0_1ISEA_004_N 4E10 Fv complex
Descriptor: 1,2-ETHANEDIOL, 4E10_D0_1ISEA_004_N (T93), Fv 4E10 heavy chain, ...
Authors:Holmes, M.A.
Deposit date:2010-01-22
Release date:2010-09-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3LH2
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BU of 3lh2 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_1VI7A_S0_002_N 4E10 Fv complex
Descriptor: 4E10_1VI7A_S0_002_N (T88), Fv 4E10 heavy chain, Fv 4E10 light chain
Authors:Holmes, M.A.
Deposit date:2010-01-21
Release date:2010-09-22
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3LF9
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BU of 3lf9 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_D0_1IS1A_001_C
Descriptor: 4E10_D0_1IS1A_001_C (T161)
Authors:Holmes, M.A.
Deposit date:2010-01-16
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
3PPD
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BU of 3ppd by Molmil
GGVLVN segment from Human Prostatic Acid Phosphatase Residues 260-265, involved in Semen-Derived Enhancer of Viral Infection
Descriptor: ACETIC ACID, GGVLVN peptide, amyloid forming segment, ...
Authors:Zhao, A, Sawaya, M.R, Eisenberg, D.
Deposit date:2010-11-24
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation.
Nature, 475, 2011

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