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7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
分子名称: BH32.7 protein
著者Levy, C.W.
登録日2021-03-29
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8FLX
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BU of 8flx by Molmil
De novo designed homotrimer; the fusion product of BGL17 and DHR59
分子名称: LK031
著者Kibler, R.D, Kennedy, M.A, Stoddard, B.L, Lee, S.
登録日2022-12-22
公開日2023-06-28
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Four-component protein nanocages designed by programmed symmetry breaking.
Nature, 2024
8EQI
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BU of 8eqi by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.2.0
分子名称: Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-10-07
公開日2023-04-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6.
Acs Chem.Biol., 18, 2023
2A0M
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BU of 2a0m by Molmil
Arginase superfamily protein from Trypanosoma cruzi
分子名称: ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
著者Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-06-16
公開日2005-07-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural genomics of pathogenic protozoa: an overview.
Methods Mol.Biol., 426, 2008
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6XBF
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BU of 6xbf by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G
分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G
著者Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
登録日2020-06-05
公開日2021-03-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XBE
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BU of 6xbe by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F
分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F
著者Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
登録日2020-06-05
公開日2021-03-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XCI
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BU of 6xci by Molmil
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D
分子名称: ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ...
著者Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J.
登録日2020-06-08
公開日2021-03-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
分子名称: b11L5F_LGL
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
分子名称: SULFATE ION, b10
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
分子名称: T33-28.3: A, T33-28.3: B
著者Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
登録日2023-06-15
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
分子名称: T33-18.2 : A, T33-18.2 : B
著者Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
登録日2023-06-15
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
分子名称: T33-27.1 : A, T33-27.1 : B
著者Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
登録日2023-06-16
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
分子名称: DE NOVO DESIGNED OR386
著者Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2020-06-12
公開日2020-08-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
4YXX
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BU of 4yxx by Molmil
Computationally designed left-handed alpha/alpha toroid with 6 repeats
分子名称: dTor_6x35L
著者Doyle, L, Bolduc, J, Stoddard, B.L, Bradley, P.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
6EGC
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BU of 6egc by Molmil
Single-chain version of 2L4HC2_23 (PDB 5J0K)
分子名称: SC_2L4HC2_23
著者Bick, M.J, Chen, Z, DiMaio, F.
登録日2018-08-19
公開日2019-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 141, 2019
2N47
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BU of 2n47 by Molmil
EC-NMR Structure of Synechocystis sp. PCC 6803 Slr1183 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target SgR145
分子名称: Slr1183 protein
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-17
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N44
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BU of 2n44 by Molmil
EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690
分子名称: Maltose-binding periplasmic protein
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-16
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N45
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BU of 2n45 by Molmil
EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690
分子名称: Maltose-binding periplasmic protein
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-17
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
分子名称: Diisopropyl-fluorophosphatase, GLYCEROL
著者Lambert, A.R, Stoddard, B.L.
登録日2009-06-26
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 KE7_R7_1/3H, MAGNESIUM ION
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
5CWD
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BU of 5cwd by Molmil
Crystal structure of de novo designed helical repeat protein DHR7
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015

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件を2025-07-09に公開中

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