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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)
分子名称: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)FAED(ORN)AII(SAR)L(ORN)V, SODIUM ION
著者Nowick, J.S, Spencer, R.K, Li, H.
登録日2013-12-02
公開日2014-04-02
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献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
分子名称: Miniprotein EEHEE_rd4_0871
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
分子名称: Miniprotein HHH_rd4_0518
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-20
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
分子名称: Miniprotein EEHEE_rd4_0642
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium
著者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)
登録日2013-10-30
公開日2014-01-15
実験手法X-RAY DIFFRACTION (2.323 Å)
主引用文献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
分子名称: E23P-YFP, GFP-like fluorescent chromoprotein FP506, related, ...
著者Mou, Y, Mayo, S.L.
登録日2013-10-26
公開日2014-11-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SODIUM ION, ...
著者Lobsanov, Y.D, Broom, A, Howell, P.L, Rose, D.R, Meiering, E.M.
登録日2010-10-29
公開日2011-12-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium
著者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)
登録日2013-10-30
公開日2014-01-15
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献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
分子名称: 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, ...
著者Williams, S.P, Wang, L, Brown, K.K, Parrish, C.A, Hardwicke, M.A.
登録日2014-05-09
公開日2014-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献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
分子名称: peptide with Glu:Ala:Lys triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-08-23
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献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)
分子名称: GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ...
著者Kossiakoff, A.A, Duguid, E.M, Sandstrom, A.
登録日2010-11-01
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVT(MAA)TVK, SULFATE ION
著者Spencer, R.K, Li, H, Nowick, J.S.
登録日2014-03-13
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献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
分子名称: Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-12-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: Pentatricopeptide repeat protein
著者Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
登録日2014-05-12
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.353 Å)
主引用文献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
分子名称: CALCIUM ION, Pentatricopeptide repeat protein
著者Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
登録日2014-05-12
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: Coiled-coil Trimer with Glu:Ser:Lys Triad with K7A mutation
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-12-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献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
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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
分子名称: Immunoglobulin G-binding protein G
著者Heath, S.L, Horne, W.S, Lengyel, G.A.
登録日2023-06-01
公開日2023-08-16
実験手法SOLUTION NMR
主引用文献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
分子名称: Immunoglobulin G-binding protein G
著者Heath, S.L, Horne, W.S, Lengyel, G.A.
登録日2023-06-01
公開日2023-08-16
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献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)
分子名称: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)(MEA)AED(ORN)AIIGL(ORN)V, SODIUM ION
著者Spencer, R.K, Li, H, Nowick, J.S.
登録日2013-12-05
公開日2014-04-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
分子名称: Immunoglobulin G-binding protein G
著者Heath, S.L, Horne, W.S, Lengyel, G.A.
登録日2023-06-01
公開日2023-08-16
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献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
分子名称: CHLORIDE ION, DESIGNED PROTEIN OR465
著者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)
登録日2014-02-28
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献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.
分子名称: OR464
著者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)
登録日2014-03-07
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献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
分子名称: Cake6, GLYCEROL
著者Mylemans, B, Laier, I, Voet, A.R.D, Noguchi, H.
登録日2019-11-26
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: PD-i6 peptide
著者Guardiola, S, Varese, M, Garcia, J, Giralt, E.
登録日2019-12-23
公開日2021-01-13
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain
To Be Published

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