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8J98
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BU of 8j98 by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ...
Authors:Hu, X, Xu, Y.
Deposit date:2023-05-02
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
7QDK
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BU of 7qdk by Molmil
A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2021-11-27
Release date:2022-04-27
Last modified:2022-07-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
7M0Q
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BU of 7m0q by Molmil
Crystal structure of deep network hallucinated protein 0738_mod
Descriptor: Network hallucinated protein 0738_mod
Authors:Pellock, S.J, Bera, A.K, Anishchenko, I, Baker, D.
Deposit date:2021-03-11
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2016-04-24
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
Authors:Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
Deposit date:2023-06-30
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7QX5
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BU of 7qx5 by Molmil
mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX6
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BU of 7qx6 by Molmil
mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Ba
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
Deposit date:2022-01-28
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX7
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BU of 7qx7 by Molmil
mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
5A6O
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BU of 5a6o by Molmil
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
Authors:Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
Deposit date:2015-06-30
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A6N
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BU of 5a6n by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
Descriptor: 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ...
Authors:Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
Deposit date:2015-06-30
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
7JRQ
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BU of 7jrq by Molmil
Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
Descriptor: CHLORIDE ION, GLYCEROL, MPP1, ...
Authors:Mann, S.I, DeGrado, W.F.
Deposit date:2020-08-12
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
Descriptor: COPPER (II) ION, Cu-3SCC
Authors:Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
Deposit date:2020-12-17
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
1Z70
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BU of 1z70 by Molmil
1.15A resolution structure of the formylglycine generating enzyme FGE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ...
Authors:Rudolph, M.G.
Deposit date:2005-03-23
Release date:2005-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data.
Acta Crystallogr.,Sect.D, 61, 2005
7R1E
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BU of 7r1e by Molmil
Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: GLYCEROL, Pesticidal crystal protein Cry11Ba
Authors:Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
Deposit date:2022-02-02
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
8UBG
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BU of 8ubg by Molmil
DpHF19 filament
Descriptor: DpHF19,Green fluorescent protein (Fragment)
Authors:Lynch, E.M, Shen, H, Kollman, J.M, Baker, D.
Deposit date:2023-09-22
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
8UB3
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BU of 8ub3 by Molmil
DpHF7 filament
Descriptor: DpHF7 filament
Authors:Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D.
Deposit date:2023-09-22
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
8UAO
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BU of 8uao by Molmil
DpHF18 filament
Descriptor: DpHF18
Authors:Lynch, E.M, Shen, H, Kollman, J.M, Baker, D.
Deposit date:2023-09-21
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
7XZQ
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BU of 7xzq by Molmil
Crystal structure of TNIK-thiopeptide TP1 complex
Descriptor: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
Descriptor: 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, ...
Authors:Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
Deposit date:2023-06-30
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7K3H
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BU of 7k3h by Molmil
Crystal structure of deep network hallucinated protein 0217
Descriptor: Network hallucinated protein 0217
Authors:Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D.
Deposit date:2020-09-11
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
8BFE
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BU of 8bfe by Molmil
A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2022-10-25
Release date:2022-11-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
4AF0
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BU of 4af0 by Molmil
Crystal structure of cryptococcal inosine monophosphate dehydrogenase
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ...
Authors:Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A.
Deposit date:2012-01-15
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans
Plos Pathog., 8, 2012

221051

數據於2024-06-12公開中

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