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7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-09
公開日2022-09-14
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Monteltione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UWY
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BU of 7uwy by Molmil
NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3
分子名称: De novo designed small beta-barrel protein 29_bp_sh3
著者Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D.
登録日2022-05-04
公開日2023-03-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UWZ
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BU of 7uwz by Molmil
NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3
分子名称: De novo designed small beta-barrel protein 33_bp_sh3
著者Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D.
登録日2022-05-04
公開日2023-03-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UNJ
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BU of 7unj by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
分子名称: 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ...
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
分子名称: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
2RGJ
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BU of 2rgj by Molmil
Crystal structure of flavin-containing monooxygenase PhzS
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase
著者Ladner, J.E, Parsons, J.F, Greenhagen, B.T, Robinson, H.
登録日2007-10-03
公開日2008-05-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Pyocyanin Biosynthetic Protein PhzS.
Biochemistry, 47, 2008
5Z32
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BU of 5z32 by Molmil
LPS bound solution NMR structure of WS2-VR18
分子名称: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG
著者Bhunia, A, Mohid, S.A.
登録日2018-01-05
公開日2019-02-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
5Z31
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BU of 5z31 by Molmil
LPS bound solution structure of WS2-KG18
分子名称: LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY
著者Bhunia, A, Mohid, S.A.
登録日2018-01-05
公開日2019-02-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
6ASA
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BU of 6asa by Molmil
KRAS mutant-D33E in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Lu, J, Westover, K.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Westover, K, Lu, J.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
8U1A
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BU of 8u1a by Molmil
De novo Design of Near Infrared Fluorescent Proteins
分子名称: Designed Near Infrared Fluorescent Protein MC7BP34
著者Liu, Y, Xu, C, Bera, A.K, Kang, A, Baker, D.
登録日2023-08-31
公開日2024-09-11
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献De novo Design of Near Infrared Fluorescent Proteins
To Be Published
5FFM
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BU of 5ffm by Molmil
Yellow fever virus helicase
分子名称: Serine protease NS3
著者Smith, J.L.
登録日2015-12-18
公開日2015-12-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the Flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J. Virol., 79, 2005
6W3F
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BU of 6w3f by Molmil
Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
分子名称: Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3D
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BU of 6w3d by Molmil
Rd1NTF2_05 with long sheet
分子名称: Rd1NTF2_05
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3G
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BU of 6w3g by Molmil
Rd1NTF2_04 with long sheet
分子名称: Rd1NTF2_04
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BUR
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BU of 6bur by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
分子名称: BARBITURIC ACID, CALCIUM ION, Cyanuric acid amidohydrolase, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6DHJ
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BU of 6dhj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: CITRIC ACID, Cyanuric acid amidohydrolase
著者Shi, K, Aihara, H.
登録日2018-05-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019

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件を2024-11-06に公開中

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