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PDB: 87 件

7JRQ
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Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
分子名称: CHLORIDE ION, GLYCEROL, MPP1, ...
著者Mann, S.I, DeGrado, W.F.
登録日2020-08-12
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
8TNB
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
分子名称: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN1
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
分子名称: De novo designed 4 helix bundles, SULFATE ION
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
分子名称: De novo designed protein, Rucaparib
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
7UDV
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Designed pentameric proton channel LLQL
分子名称: De novo designed proton channel LLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDZ
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Designed pentameric proton channel LQLL
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDY
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Designed pentameric channel QLLL
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
6YB1
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Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
分子名称: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
著者Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
登録日2020-03-15
公開日2021-04-07
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
1QP6
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SOLUTION STRUCTURE OF ALPHA2D
分子名称: PROTEIN (ALPHA2D)
著者Hill, R.B, DeGrado, W.F.
登録日1999-06-01
公開日1999-06-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
3V86
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Computational Design of a Protein Crystal
分子名称: De novo design helix
著者Acharya, R, North, B, Saven, J, DeGrado, W.
登録日2011-12-22
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UUG
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BU of 3uug by Molmil
Crystal structure of the periplasmic sugar binding protein ChvE
分子名称: Multiple sugar-binding periplasmic receptor ChvE, beta-D-glucopyranuronic acid
著者Hu, X, Zhao, J, Binns, A, Degrado, W.
登録日2011-11-28
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals.
Proc.Natl.Acad.Sci.USA, 110, 2013
3URM
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BU of 3urm by Molmil
Crystal structure of the periplasmic sugar binding protein ChvE
分子名称: Multiple sugar-binding periplasmic receptor ChvE, beta-D-galactopyranose
著者Hu, X, Zhao, J, Binns, A, Degrado, W.
登録日2011-11-22
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals.
Proc.Natl.Acad.Sci.USA, 110, 2013
6O3N
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BU of 6o3n by Molmil
Cross-alpha Amyloid-like Structure alphaAmA
分子名称: Cross-alpha Amyloid-like Structure alphaAmA
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2019-02-26
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures
Nat. Chem. Biol., 14, 2018
1YOD
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Crystal structure of a water soluble analog of phospholamban
分子名称: water-solublized phospholamban
著者Slovic, A.M, Stayrook, S.E, North, B, DeGrado, W.F.
登録日2005-01-27
公開日2005-04-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of a water-soluble analog of the membrane protein phospholamban: sequence determinants defining the topology of tetrameric and pentameric coiled coils.
J.Mol.Biol., 348, 2005
1Y47
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Structural studies of designed alpha-helical hairpins
分子名称: CADMIUM ION, dueferri (DF2)
著者Lahr, S.J, Engel, D.E, Stayrook, S.E, Maglio, O, North, B, Geremia, S, Lombardi, A, DeGrado, W.F.
登録日2004-11-30
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Analysis and design of turns in alpha-helical hairpins
J.Mol.Biol., 346, 2005
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-05-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
5UGK
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BU of 5ugk by Molmil
Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy
分子名称: ILE-HIS-VAL-HIS-LEU-GLN-ILE, ZINC ION
著者Lee, M, Wang, T, Makhlynets, O.V, Wu, Y, Polizzi, N, Wu, H, Gosavi, P.M, Korendovych, I.V, DeGrado, W.F, Hong, M.
登録日2017-01-09
公開日2017-05-31
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Zinc-binding structure of a catalytic amyloid from solid-state NMR.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2KZ2
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Calmodulin, C-terminal domain, F92E mutant
分子名称: CALCIUM ION, Calmodulin
著者Korendovych, I, Kulp, D, Wu, Y, Cheng, H, Roder, H, DeGrado, W.
登録日2010-06-10
公開日2011-04-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Design of a switchable eliminase.
Proc.Natl.Acad.Sci.USA, 108, 2011
6Z0L
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BU of 6z0l by Molmil
Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix
分子名称: CADMIUM ION, Cys-N2 Strand, Positive Strand, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
6Z0M
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Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
分子名称: Cys-Ncap strand, Positive Strand, SULFATE ION, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
1AL1
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CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN
分子名称: ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION
著者Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D.
登録日1990-07-02
公開日1991-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of alpha 1: implications for protein design.
Science, 249, 1990
4JG0
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Structure of phosphoserine/threonine (pSTAb) scaffold bound to pSer peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JFX
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Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
分子名称: Fab heavy chain, Fab light chain, Phosphopeptide, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-09-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013

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