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6SRZ
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BU of 6srz by Molmil
Kemp Eliminase HG3.17 mutant Q50H, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50H, ...
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
1N0A
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BU of 1n0a by Molmil
Turn stability in beta-hairpin peptides: 3:5 type I G1 bulge turns
Descriptor: bhpw_pdg, beta-hairpin peptide
Authors:Blandl, T, Cochran, A.G, Skelton, N.J.
Deposit date:2002-10-11
Release date:2003-10-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Turn stability in beta-hairpin peptides: Investigation of peptides containing 3:5 type I G1 bulge turns
PROTEIN SCI., 12, 2003
4O60
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BU of 4o60 by Molmil
Structure of ankyrin repeat protein
Descriptor: ANK-N5C-317
Authors:Ethayathulla, A.S, Guan, L.
Deposit date:2013-12-20
Release date:2015-03-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
4O5S
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BU of 4o5s by Molmil
Crystal structure of Diels-Alderase CE11
Descriptor: Diisopropyl-fluorophosphatase
Authors:Beck, T, Preiswerk, N, Mayer, C, Hilvert, D.
Deposit date:2013-12-20
Release date:2014-06-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LPU
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BU of 4lpu by Molmil
Crystal structure of TENCON variant P40AR2-32R2
Descriptor: TENCON variant P40AR2-32R2
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2013-07-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPY
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BU of 4lpy by Molmil
Crystal structure of TENCON variant G10
Descriptor: SODIUM ION, TENCON variant G10
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2013-07-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
5TWI
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BU of 5twi by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
Descriptor: Cyclic tetrapeptide ALA-ARG-ALA-UN1
Authors:Hoang, H.N, Fairlie, D.P.
Deposit date:2016-11-13
Release date:2016-12-14
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5U5B
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BU of 5u5b by Molmil
Coiled Coil Peptide Metal Coordination Framework: Trimer Fold
Descriptor: COPPER (II) ION, Designed trimeric coiled coil peptide with two terpyridine side chains, GLYCEROL
Authors:Tavenor, N.A, Murnin, M.J, Horne, W.S.
Deposit date:2016-12-06
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Supramolecular Metal-Coordination Polymers, Nets, and Frameworks from Synthetic Coiled-Coil Peptides.
J. Am. Chem. Soc., 139, 2017
4LPV
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BU of 4lpv by Molmil
Crystal structure of TENCON variant P41BR3-42
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TENCON variant P41BR3-42
Authors:Teplyakov, A, Obmolova, G, Luo, J, Gilliland, G.L.
Deposit date:2013-07-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
5US3
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BU of 5us3 by Molmil
Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger
Descriptor: Heterogeneous-Backbone Variant of the Sp1-3 Zinc Finger: N-Me-Ala3, N-Me-Arg10, beta-3-Asp15, ...
Authors:George, K.L, Horne, W.S.
Deposit date:2017-02-13
Release date:2017-05-31
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Foldamer Mimics of Zinc Finger Tertiary Structure.
J. Am. Chem. Soc., 139, 2017
5VAV
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BU of 5vav by Molmil
Design of a novel cyclic peptide that alleviates symptoms in a murine model of inflammatory bowel disease
Descriptor: cyc-MC12
Authors:Daly, N.L, Cobos Caceres, C.
Deposit date:2017-03-28
Release date:2017-05-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease.
J. Biol. Chem., 292, 2017
4OXW
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BU of 4oxw by Molmil
X-ray structure of a designed CISK-PX domain
Descriptor: SULFATE ION, designed CISK-PX domain
Authors:Zhang, Y, Shultis, D.D, Dodge, G.
Deposit date:2014-02-07
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:X-ray structure of a designed CISK-PX domain
To Be Published
6U47
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BU of 6u47 by Molmil
Coiled-coil Trimer with Glu:Ala:Lys Triad
Descriptor: peptide with Glu:Ala:Lys triad
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-08-23
Release date:2020-04-29
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
Authors:Shen, B, Procko, E, Baker, D, Stoddard, B.
Deposit date:2014-02-11
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
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
5VNW
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BU of 5vnw by Molmil
Crystal structure of Nb.b201 bound to human serum albumin
Descriptor: GLYCEROL, LAURIC ACID, Nb.b201, ...
Authors:McMahon, C, Kruse, A.C.
Deposit date:2017-05-01
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Yeast surface display platform for rapid discovery of conformationally selective nanobodies.
Nat. Struct. Mol. Biol., 25, 2018
3CAY
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BU of 3cay by Molmil
Crystal structure of Lipopeptide Detergent (LPD-12)
Descriptor: DODECYL-BETA-D-MALTOSIDE, LPD-12
Authors:Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G.
Deposit date:2008-02-20
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a self-assembling lipopeptide detergent at 1.20 A.
Proc.Natl.Acad.Sci.USA, 105, 2008
4OZC
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BU of 4ozc by Molmil
Backbone Modifications in the Protein GB1 Helix and Loops: beta-ACPC21, beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35, beta-ACPC40
Descriptor: GLYCEROL, SULFATE ION, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC21, ...
Authors:Reinert, Z.E, Horne, W.S.
Deposit date:2014-02-14
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
3CBA
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BU of 3cba by Molmil
Crystal structure of Lipopeptide Detergent (LPD-12) (Hexagonal)
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, LPD-12
Authors:Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G.
Deposit date:2008-02-21
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Packing and Twinning in Orthorhombic and Hexagonal Crystals of Lipopeptide Detergent (LPD-12)
To be Published
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
Descriptor: Primase
Authors:Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
Deposit date:2018-07-16
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
4IWW
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BU of 4iww by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
Descriptor: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
4OZA
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BU of 4oza by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Gln32, beta-3-Asp36
Descriptor: ISOPROPYL ALCOHOL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ...
Authors:Reinert, Z.E, Horne, W.S.
Deposit date:2014-02-14
Release date:2014-07-16
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
5VNV
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BU of 5vnv by Molmil
Crystal structure of Nb.b201
Descriptor: FORMIC ACID, Nb.b201, PENTAETHYLENE GLYCOL, ...
Authors:Kruse, A.C, McMahon, C.
Deposit date:2017-05-01
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Yeast surface display platform for rapid discovery of conformationally selective nanobodies.
Nat. Struct. Mol. Biol., 25, 2018
4NW9
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BU of 4nw9 by Molmil
Crystal structure of macrocycles containing Abeta17-23 (LVF(MEA)AED) and Abeta30-36 (AIIGL(ORN)V)
Descriptor: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LVF(MEA)AED(ORN)AIIGL(ORN)V, SODIUM ION
Authors:Spencer, R.K, Li, H, Nowick, J.S.
Deposit date:2013-12-05
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray crystallographic structures of trimers and higher-order oligomeric assemblies of a peptide derived from A beta (17-36).
J.Am.Chem.Soc., 136, 2014
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

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