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6DR5
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BU of 6dr5 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
5F1W
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BU of 5f1w by Molmil
Crystal structure of the enantiomer of a macrocyclic peptide containing fragments from alpha synuclein 36-55
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Macrocyclic peptide, SULFATE ION
Authors:Salveson, P.J, Spencer, R.K, Nowick, J.S.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.161 Å)
Cite:X-ray Crystallographic Structure of Oligomers Formed by a Toxic beta-Hairpin Derived from alpha-Synuclein: Trimers and Higher-Order Oligomers.
J.Am.Chem.Soc., 138, 2016
5F1T
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BU of 5f1t by Molmil
Crystal structure of a macrocyclic peptide containing fragments from alpha-synuclein 36-55.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Salveson, P.J, Spencer, R.K, Nowick, J.S.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:X-ray Crystallographic Structure of Oligomers Formed by a Toxic beta-Hairpin Derived from alpha-Synuclein: Trimers and Higher-Order Oligomers.
J.Am.Chem.Soc., 138, 2016
6DR4
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BU of 6dr4 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31V point mutation
Descriptor: HEXANE-1,6-DIOL, ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-VAL-ILE-GLY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
6DR6
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BU of 6dr6 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the F20Cha point mutation
Descriptor: ORT-CYS-VAL-PHE-XXX-CYS-GLU-ASP-ORT-ALA-ILE-ILE-GLY-LEU-ORA-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
6CG4
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BU of 6cg4 by Molmil
Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta(17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-02-19
Release date:2018-05-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
6CG3
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BU of 6cg3 by Molmil
Macrocyclic peptide derived from Abeta(17-36) - (ORN)LV(PHI)FAED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
Descriptor: ORN-LEU-VAL-PHI-PHE-ALA-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-02-19
Release date:2018-05-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
6CG5
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BU of 6cg5 by Molmil
Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta (17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
Descriptor: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-02-19
Release date:2018-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
5V64
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BU of 5v64 by Molmil
Crystal structure of macrocycles containing Abeta 15-21 (QKLV(PHI)FA) and Abeta 30-36 (AII(SAR)L(ORN)V)
Descriptor: CITRATE ANION, ORN-GLN-LYS-LEU-VAL-PHI-PHE-ALA-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL, SODIUM ION
Authors:Salveson, P.J, Spencer, R.K, Nowick, J.S.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
5V65
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BU of 5v65 by Molmil
Crystal structure of macrocycles containing Abeta 17-23 (LV(PHI)FAED) and Abeta 30-36 (AII(SAR)L(ORN)V)
Descriptor: ORN-LEU-VAL-PHI-PHE-ALA-GLU-ASP-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL
Authors:Kreutzer, A.G, Salveson, P.J, Nowick, J.S.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
5V63
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BU of 5v63 by Molmil
Crystal structure of macrocycles containing Abeta 16-22 (KLV(PHI)FAE) and Abeta 30-36 (AII(SAR)L(ORN)V)
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL
Authors:Spencer, R.K, Salveson, P.J, Nowick, J.S.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
4X0S
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BU of 4x0s by Molmil
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
Authors:Spencer, R.K, Salveson, P.J, Nowick, J.S.
Deposit date:2014-11-23
Release date:2015-05-06
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4WC8
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BU of 4wc8 by Molmil
Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).
Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MLE-ALA-VAL-LYS, ...
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-09-04
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P4X
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BU of 4p4x by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MLE)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PH7)YTE(ORN)KVA(MLE)AVK, SULFATE ION
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P4W
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BU of 4p4w by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK, SODIUM ION, ...
Authors:Spencer, R.K, Kreutzer, A, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
5W4H
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BU of 5w4h by Molmil
X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36. Synchrotron data set. (ORN)KLV(MEA)FAE(ORN)AIIGLMV.
Descriptor: A-beta 17_36 peptide: ORN-LYS-LEU-VAL-MEA-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
Authors:Kreutzer, A.G, Spencer, R.K, Nowick, J.S.
Deposit date:2017-06-11
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:A Hexamer of a Peptide Derived from A beta 16-36.
Biochemistry, 56, 2017
5W4I
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BU of 5w4i by Molmil
X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36. Rigaku data set. (ORN)KLV(MEA)FAE(ORN)AIIGLMV.
Descriptor: A-beta 17_36: ORN-LYS-LEU-VAL-MEA-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL, CHLORIDE ION, IODIDE ION
Authors:Kreutzer, A.G, McKnelly, K.J, Nowick, J.S.
Deposit date:2017-06-11
Release date:2017-11-22
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:A Hexamer of a Peptide Derived from A beta 16-36.
Biochemistry, 56, 2017
5W4J
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BU of 5w4j by Molmil
X-ray crystallographic structure of a beta-hairpin peptide mimic. (ORN)KLV(MEA)FAE(ORN)AIIGLMV.
Descriptor: A-beta 17_36 peptide: ORN-LYS-VAL-PHE-MEA-ALA-ALA-ASP-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
Authors:Kreutzer, A.G, Nowick, J.S.
Deposit date:2017-06-11
Release date:2017-11-22
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Hexamer of a Peptide Derived from A beta 16-36.
Biochemistry, 56, 2017
7JXN
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BU of 7jxn by Molmil
Beta hairpin derived from Abeta17-36 with an F20Cha mutation
Descriptor: Amyloid-beta 17-36 peptide, CHLORIDE ION, SODIUM ION
Authors:Kreutzer, A.G, Haerianardakani, S, Nowick, J.S.
Deposit date:2020-08-27
Release date:2020-12-09
Last modified:2020-12-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation by beta-Hairpins Derived from A beta.
J.Am.Chem.Soc., 142, 2020
7JXO
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BU of 7jxo by Molmil
Triangular trimer of beta-hairpins derived from Abeta17-36 with an F20Cha mutation
Descriptor: Amyloid-beta 17-36 peptide
Authors:Kreutzer, A.G, Haerianardakani, S, Nowick, J.S.
Deposit date:2020-08-27
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation by beta-Hairpins Derived from A beta.
J.Am.Chem.Soc., 142, 2020
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
Descriptor: CHD_r1
Authors:Bera, A.K, An, L, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
8VEJ
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BU of 8vej by Molmil
De novo designed cholic acid binder: CHD_buttress
Descriptor: CHD_buttress, CHOLIC ACID
Authors:Bera, A.K, Tran, L, Kang, A, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
7LIB
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BU of 7lib by Molmil
X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit
Descriptor: Cyclic peptide ORD-TYR-LEU-LEU-PHI-TYR-THR-GLU-GMO-LYS-VAL-THR-MVA-THR-VAL-LYS
Authors:Wierzbicki, M, Nowick, J.S, Li, X.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides.
Angew.Chem.Int.Ed.Engl., 60, 2021
4P4Y
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BU of 4p4y by Molmil
Hexamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVT(MAA)TVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVT(MAA)TVK, SULFATE ION
Authors:Spencer, R.K, Li, H, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P4V
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BU of 4p4v by Molmil
Hexamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MAA)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MAA)AVK, SULFATE ION
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015

 

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