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6DLC
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BU of 6dlc by Molmil
Designed protein DHD1:234_A, Designed protein DHD1:234_B
分子名称: Designed protein DHD1:234_A, Designed protein DHD1:234_B
著者Bick, M.J, Chen, Z, Baker, D.
登録日2018-05-31
公開日2018-12-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.261 Å)
主引用文献Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
9CKV
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BU of 9ckv by Molmil
Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G.
登録日2024-07-09
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献De Novo Design of Integrin alpha5beta1 Modulating Proteins for Regenerative Medicine
To Be Published
7VQW
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BU of 7vqw by Molmil
de novo designed protein based on 1r26
分子名称: de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
分子名称: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
6L9X
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BU of 6l9x by Molmil
Xenons in frog EPDR1
分子名称: Ependymin-related 1, XENON
著者Park, S.
登録日2019-11-11
公開日2020-11-11
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献De novo Phasing Xenons Observed in the Frog Ependymin-Related Protein
Crystals, 10, 2020
7VU4
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BU of 7vu4 by Molmil
de novo design based on 1r26
分子名称: de novo design protein
著者Zhang, L.
登録日2021-11-01
公開日2022-06-08
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VTY
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BU of 7vty by Molmil
de novo designed protein
分子名称: de novo designed protein
著者Zhang, L.
登録日2021-10-31
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
5I30
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BU of 5i30 by Molmil
Crystal structure of the human astrovirus 2 neutralizing monoclonal antibody PL-2 Fab fragment at 1.9 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab PL-2 heavy chain, Fab PL-2 light chain
著者Bogdanoff, W.A, DuBois, R.M.
登録日2016-02-09
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De Novo Sequencing and Resurrection of a Human Astrovirus-Neutralizing Antibody.
Acs Infect Dis., 2, 2016
8BFD
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BU of 8bfd by Molmil
Racemic structure of PK-7 (310HD-U2U5)
分子名称: 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, P, Paterson, N.G, Woolfson, D.N.
登録日2022-10-25
公開日2022-11-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
8OYV
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BU of 8oyv by Molmil
De novo designed Claudin fold CLF_4
分子名称: De novo designed soluble Claudin
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
8OYX
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BU of 8oyx by Molmil
De novo designed soluble GPCR-like fold GLF_18
分子名称: De novo designed soluble GPCR-like protein, PHOSPHATE ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
8OYW
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BU of 8oyw by Molmil
De novo designed rhomboid protease-like fold RPF_9
分子名称: De novo designed soluble Rhomboid protease-like protein, SODIUM ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
分子名称: Computationally Designed Transporter of Zn(II) and Proton
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
7RKC
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BU of 7rkc by Molmil
Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633
分子名称: ACETATE ION, D_3_633
著者Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K.
登録日2021-07-22
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QDI
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BU of 7qdi by Molmil
Structure of octameric left-handed 310-helix bundle: D-310HD
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Kumar, P, Paterson, N.G, Woolfson, D.N.
登録日2021-11-27
公開日2022-04-27
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
7QDJ
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BU of 7qdj by Molmil
Racemic structure of PK-10 and PK-11
分子名称: GLYCEROL, MALONATE ION, PK-10+PK-11, ...
著者Kumar, P, Paterson, N.G, Woolfson, D.N.
登録日2021-11-27
公開日2022-04-27
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
5FQK
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BU of 5fqk by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQM
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BU of 5fqm by Molmil
Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase
分子名称: GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION
著者Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M.
登録日2015-12-12
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQI
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BU of 5fqi by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQJ
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BU of 5fqj by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQQ
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BU of 5fqq by Molmil
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
2MXG
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BU of 2mxg by Molmil
NMR resolved structure of VG16KRKP, an antimicrobial peptide in D8PG micelles
分子名称: antimicrobial peptide
著者Bhunia, A, Datta, A.
登録日2015-01-01
公開日2015-02-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control
To be Published
2MXH
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BU of 2mxh by Molmil
NMR resolved structure of VG16KRKP, an antimicrobial peptide in SDS
分子名称: antimicrobial peptide
著者Bhunia, A, Datta, A.
登録日2015-01-01
公開日2015-02-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control
To be Published
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
分子名称: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
著者Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
登録日2021-08-10
公開日2021-10-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021

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件を2024-07-17に公開中

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