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7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
Descriptor: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
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
Descriptor: De novo designed small beta-barrel protein 29_bp_sh3
Authors:Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D.
Deposit date:2022-05-04
Release date:2023-03-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: De novo designed small beta-barrel protein 33_bp_sh3
Authors:Peterson, F.C, Kim, D.E, Jensen, D.R, Saleem, A, Chow, C.M, Volkman, B.F, Baker, D.
Deposit date:2022-05-04
Release date:2023-03-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
6BUM
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BU of 6bum by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Shi, K, Cho, S, Seffernick, J.L, Bera, A, Wackett, L.P, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
2RGJ
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BU of 2rgj by Molmil
Crystal structure of flavin-containing monooxygenase PhzS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase
Authors:Ladner, J.E, Parsons, J.F, Greenhagen, B.T, Robinson, H.
Deposit date:2007-10-03
Release date:2008-05-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Pyocyanin Biosynthetic Protein PhzS.
Biochemistry, 47, 2008
5FFM
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BU of 5ffm by Molmil
Yellow fever virus helicase
Descriptor: Serine protease NS3
Authors:Smith, J.L.
Deposit date:2015-12-18
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J. Virol., 79, 2005
6CWJ
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BU of 6cwj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid
Descriptor: 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2018-03-30
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.253 Å)
Cite: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
Descriptor: CITRIC ACID, Cyanuric acid amidohydrolase
Authors:Shi, K, Aihara, H.
Deposit date:2018-05-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6ASA
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BU of 6asa by Molmil
KRAS mutant-D33E in GDP-bound
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Lu, J, Westover, K.
Deposit date:2017-08-24
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.545 Å)
Cite: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
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Westover, K, Lu, J.
Deposit date:2017-08-24
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
5Z31
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BU of 5z31 by Molmil
LPS bound solution structure of WS2-KG18
Descriptor: LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
6BUN
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BU of 6bun by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUP
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BU of 6bup by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid
Descriptor: 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUR
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BU of 6bur by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
Descriptor: BARBITURIC ACID, CALCIUM ION, Cyanuric acid amidohydrolase, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUO
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BU of 6buo by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, Cyanuric acid amidohydrolase, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
5Z32
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BU of 5z32 by Molmil
LPS bound solution NMR structure of WS2-VR18
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
6BUQ
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BU of 6buq by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
Descriptor: 1,3-PROPANDIOL, BARBITURIC ACID, CALCIUM ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
7M5T
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BU of 7m5t by Molmil
Solution NMR structure of de novo designed protein 0515
Descriptor: De novo designed protein 0515
Authors:Ramelot, T.A, Hao, J, Baker, D, Montelione, G.T.
Deposit date:2021-03-24
Release date:2021-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
7N1J
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BU of 7n1j by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder
Descriptor: Binder, Fibroblast growth factor receptor 4
Authors:Park, J.S, Lee, S.
Deposit date:2021-05-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N1K
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BU of 7n1k by Molmil
Crystal structure of a de novo-designed mini-protein targeting FGFR
Descriptor: Binder
Authors:Park, J.S, Lee, S.
Deposit date:2021-05-27
Release date:2022-04-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N3T
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BU of 7n3t by Molmil
TrkA ECD complex with designed miniprotein ligand
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jude, K.M, Cao, L, Garcia, K.C.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWY
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BU of 8cwy by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: T32-15-1, T32-15-2
Authors:Li, Z, Borst, A.J, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023

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