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7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
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
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
Descriptor: computationally designed cyclic peptide D8.3.p2
Authors:Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:2022-03-17
Release date:2022-09-14
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
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:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, 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
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
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
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT 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:2022-03-14
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
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
7UWF
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BU of 7uwf by Molmil
Human Rix1 sub-complex scaffold
Descriptor: Modulator of non-genomic activity of estrogen receptor, WD repeat-containing protein 18
Authors:Gordon, J, Stanley, R.E.
Deposit date:2022-05-03
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM reveals the architecture of the PELP1-WDR18 molecular scaffold.
Nat Commun, 13, 2022
3F81
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BU of 3f81 by Molmil
Interaction of VHR with SA3
Descriptor: 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, Dual specificity protein phosphatase 3
Authors:Wu, S, Mutelin, T, Tautz, L.
Deposit date:2008-11-11
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells.
J.Med.Chem., 52, 2009
1CY5
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BU of 1cy5 by Molmil
CRYSTAL STRUCTURE OF THE APAF-1 CARD
Descriptor: BETA-MERCAPTOETHANOL, PROTEIN (APOPTOTIC PROTEASE ACTIVATING FACTOR 1), ZINC ION
Authors:Vaughn, D.E, Joshua-Tor, L.
Deposit date:1999-08-31
Release date:1999-09-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Apaf-1 caspase recruitment domain: an alpha-helical Greek key fold for apoptotic signaling.
J.Mol.Biol., 293, 1999
5TY4
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BU of 5ty4 by Molmil
MicroED structure of a complex between monomeric TGF-b and its receptor, TbRII, at 2.9 A resolution
Descriptor: TGF-beta receptor type-2, mmTGF-b2-7m
Authors:Weiss, S.C, de la Cruz, M.J, Hattne, J, Shi, D, Reyes, F.E, Callero, G, Gonen, T.
Deposit date:2016-11-18
Release date:2017-04-26
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.9 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
8T84
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BU of 8t84 by Molmil
Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T86
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BU of 8t86 by Molmil
Racemic mixture of amylin segment 25-AILSS-29 forms heterochiral rippled beta-sheet
Descriptor: Racemic mixture of amylin segment 25-AILSS-29
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A, Sajimon, M.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.102 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T82
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BU of 8t82 by Molmil
Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid
Descriptor: amyloid beta segment 35-MVGGVV-40, racemic mixture, pentafluoropropanoic acid
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8T89
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BU of 8t89 by Molmil
Racemic mixture of amyloid beta segment 16-KLVFFA-21 forms heterochiral rippled beta-sheet
Descriptor: Racemic mixture of amyloid beta segment 16-KLVFFA-21, trifluoroacetic acid
Authors:Sawaya, M.R, Raskatov, J.A, Hazari, A.
Deposit date:2023-06-22
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
8DDG
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BU of 8ddg by Molmil
FYF peptide forms a standard beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E, Vlahakis, N.W.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDH
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BU of 8ddh by Molmil
Racemic mixture of FYF peptide reveals rippled beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDF
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BU of 8ddf by Molmil
Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
1XSP
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BU of 1xsp by Molmil
Crystal Structure of human DNA polymerase lambda in complex with nicked DNA and pyrophosphate
Descriptor: 5'-D(*CP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
1XSN
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BU of 1xsn by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
1XSL
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BU of 1xsl by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap
Descriptor: 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
7L7E
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BU of 7l7e by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
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