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6R12
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BU of 6r12 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7b
分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R18
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BU of 6r18 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 11a
分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R19
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BU of 6r19 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a
分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1A
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BU of 6r1a by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b
分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1D
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BU of 6r1d by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7d, co-crystallized
分子名称: (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate, Cereblon isoform 4, ZINC ION
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1K
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BU of 6r1k by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
分子名称: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1W
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BU of 6r1w by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b
分子名称: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate, Cereblon isoform 4, PHOSPHATE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-15
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1X
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BU of 6r1x by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a
分子名称: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
著者Heim, C, Hartmann, M.D.
登録日2019-03-15
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1C
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BU of 6r1c by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a
分子名称: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ...
著者Heim, C, Hartmann, M.D.
登録日2019-03-14
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
4PEK
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BU of 4pek by Molmil
Crystal structure of a computationally designed retro-aldolase, RA114.3
分子名称: Retro-aldolase
著者Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
登録日2014-04-23
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
4PEJ
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BU of 4pej by Molmil
Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free)
分子名称: Retro-aldolase
著者Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
登録日2014-04-23
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
7RMX
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BU of 7rmx by Molmil
Structure of De Novo designed tunable symmetric protein pockets
分子名称: Tunable symmetric protein, D_3_212
著者Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
登録日2021-07-28
公開日2022-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者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.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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
7QDK
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BU of 7qdk by Molmil
A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ...
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 (1.41 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
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2024-04-03
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
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
分子名称: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-11
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
分子名称: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-10
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
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
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献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
分子名称: Pesticidal crystal protein Cry11Ba
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-01-28
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022

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件を2024-09-18に公開中

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