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4NTP
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BU of 4ntp by Molmil
Crystal structure of macrocycles containing A 17-23 (LV(PHI)FAED) and A 30-36 (AII(SAR)L(ORN)V)
Descriptor: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)FAED(ORN)AII(SAR)L(ORN)V, SODIUM ION
Authors:Nowick, J.S, Spencer, R.K, Li, H.
Deposit date:2013-12-02
Release date:2014-04-02
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.987 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
8SKD
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BU of 8skd by Molmil
Solution Structure of the model miniprotein EEHEE_rd4_0871
Descriptor: Miniprotein EEHEE_rd4_0871
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-19
Release date:2024-04-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the model miniprotein EEHEE_rd4_0871
To Be Published
8SKX
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BU of 8skx by Molmil
Solution structure of the model miniprotein HHH_rd4_0518
Descriptor: Miniprotein HHH_rd4_0518
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-20
Release date:2024-04-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the model miniprotein HHH_rd4_0518
To Be Published
8SKE
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BU of 8ske by Molmil
Solution structure of the model miniprotein EEHEE_rd4_0642
Descriptor: Miniprotein EEHEE_rd4_0642
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-19
Release date:2024-04-24
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Solution structure of the model miniprotein EEHEE_rd4_0642
To Be Published
4NEY
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BU of 4ney by Molmil
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium
Authors:Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-30
Release date:2014-01-15
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Northeast Structural Genomics Consortium Target OR277
To be published
4NDK
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BU of 4ndk by Molmil
Crystal structure of a computational designed engrailed homeodomain variant fused with YFP
Descriptor: E23P-YFP, GFP-like fluorescent chromoprotein FP506, related, ...
Authors:Mou, Y, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
3PG0
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BU of 3pg0 by Molmil
Crystal structure of designed 3-fold symmetric protein, ThreeFoil
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SODIUM ION, ...
Authors:Lobsanov, Y.D, Broom, A, Howell, P.L, Rose, D.R, Meiering, E.M.
Deposit date:2010-10-29
Release date:2011-12-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Modular evolution and the origins of symmetry: reconstruction of a three-fold symmetric globular protein.
Structure, 20, 2012
4NEZ
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BU of 4nez by Molmil
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium
Authors:Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-30
Release date:2014-01-15
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Northeast Structural Genomics Consortium Target OR276
To be published
4PIV
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BU of 4piv by Molmil
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069
Descriptor: 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CACODYLATE ION, Fatty acid synthase, ...
Authors:Williams, S.P, Wang, L, Brown, K.K, Parrish, C.A, Hardwicke, M.A.
Deposit date:2014-05-09
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site.
Nat.Chem.Biol., 10, 2014
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
3PGF
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BU of 3pgf by Molmil
Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB)
Descriptor: GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ...
Authors:Kossiakoff, A.A, Duguid, E.M, Sandstrom, A.
Deposit date:2010-11-01
Release date:2011-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins.
Nat.Struct.Mol.Biol., 18, 2011
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
6V4Y
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BU of 6v4y by Molmil
Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation
Descriptor: Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
4PJQ
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BU of 4pjq by Molmil
Crystal structure of designed cPPR-polyG protein
Descriptor: Pentatricopeptide repeat protein
Authors:Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
Deposit date:2014-05-12
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.353 Å)
Cite:An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
4PJS
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BU of 4pjs by Molmil
Crystal structure of designed (SeMet)-cPPR-NRE protein
Descriptor: CALCIUM ION, Pentatricopeptide repeat protein
Authors:Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
Deposit date:2014-05-12
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
6V50
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BU of 6v50 by Molmil
Coiled-coil Trimer with Glu:Ser:Lys Triad with K7A mutation
Descriptor: Coiled-coil Trimer with Glu:Ser:Lys Triad with K7A mutation
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6SS3
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BU of 6ss3 by Molmil
Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
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 (1.15 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
8T0G
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BU of 8t0g by Molmil
Backbone Dialkylation in Peptide Hairpins: Natural Backbone Prototype
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8T0H
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BU of 8t0h by Molmil
Backbone Dialkylation in Peptide Hairpins: (S)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
4NW8
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BU of 4nw8 by Molmil
Crystal structure of macrocycles containing Abeta17-23 (LV(PHI)(MEA)AED) and Abeta30-36 (AIIGL(ORN)V)
Descriptor: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)(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:2017-11-22
Method:X-RAY DIFFRACTION (2.02 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
8T0I
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BU of 8t0i by Molmil
Backbone Dialkylation in Peptide Hairpins: (R)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
4PQ8
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BU of 4pq8 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR465
Descriptor: CHLORIDE ION, DESIGNED PROTEIN OR465
Authors:Vorobiev, S, Parmeggiani, F, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Park, K, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-02-28
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Crystal Structure of Engineered Protein OR465.
To be Published
4PSJ
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BU of 4psj by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR464.
Descriptor: OR464
Authors:Vorobiev, S, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Janjua, H, Xiao, R, Maglaqui, M, Park, K, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-03-07
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal Structure of Engineered Protein OR464.
To be Published
6TJF
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BU of 6tjf by Molmil
Crystal structure of the computationally designed Cake6 protein
Descriptor: Cake6, GLYCEROL
Authors:Mylemans, B, Laier, I, Voet, A.R.D, Noguchi, H.
Deposit date:2019-11-26
Release date:2020-05-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
6TT6
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BU of 6tt6 by Molmil
Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
Descriptor: PD-i6 peptide
Authors:Guardiola, S, Varese, M, Garcia, J, Giralt, E.
Deposit date:2019-12-23
Release date:2021-01-13
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain
To Be Published

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