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6WB5
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Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ...
著者Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
登録日2020-03-26
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB7
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Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ...
著者Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
登録日2020-03-26
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6O0W
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Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0V
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Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0S
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Crystal structure of the tandem SAM domains from human SARM1
分子名称: Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0T
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Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1
分子名称: Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O1B
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BU of 6o1b by Molmil
Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-18
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0R
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Crystal structure of the TIR domain from human SARM1 in complex with glycerol
分子名称: GLYCEROL, Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0U
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BU of 6o0u by Molmil
Crystal structure of the TIR domain H685A mutant from human SARM1
分子名称: Sterile alpha and TIR motif-containing protein 1
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
6O0Q
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BU of 6o0q by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with ribose
分子名称: CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose
著者Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B.
登録日2019-02-17
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
5XP6
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BU of 5xp6 by Molmil
native structure of NDM-1 crystallized at pH5.5
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G, Lai, J, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
1JPS
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BU of 1jps by Molmil
Crystal structure of tissue factor in complex with humanized Fab D3h44
分子名称: immunoglobulin Fab D3H44, heavy chain, light chain, ...
著者Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
登録日2001-08-03
公開日2002-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
1JPT
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BU of 1jpt by Molmil
Crystal Structure of Fab D3H44
分子名称: immunoglobulin Fab D3H44, heavy chain, immunoglobulin Fab D3h44, ...
著者Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
登録日2001-08-03
公開日2002-02-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
5K5B
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BU of 5k5b by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
著者Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S.
登録日2016-05-23
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
3KE1
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BU of 3ke1 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 8, 2013
8RUS
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BU of 8rus by Molmil
Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Perrett, S, van Thor, J.J.
登録日2024-01-31
公開日2024-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024
6TRK
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BU of 6trk by Molmil
Phl p 6 fold stabilized mutant - S46Y
分子名称: Pollen allergen Phl p 6, ZINC ION
著者Soh, W.T, Brandstetter, H.
登録日2019-12-19
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
6YPB
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NUDIX1 hydrolase from Rosa x hybrida
分子名称: Geranyl diphosphate phosphohydrolase
著者Degut, C, Rety, S, Tisne, C, Baudino, S.
登録日2020-04-15
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functional diversification in the Nudix hydrolase gene family drives sesquiterpene biosynthesis in Rosa × wichurana.
Plant J., 104, 2020
6YPF
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NUDIX1 hydrolase from Rosa x hybrida in complex with geranyl pyrophosphate
分子名称: GERANYL DIPHOSPHATE, Geranyl diphosphate phosphohydrolase
著者Degut, C, Rety, S, Tisne, C, Baudino, S.
登録日2020-04-16
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional diversification in the Nudix hydrolase gene family drives sesquiterpene biosynthesis in Rosa × wichurana.
Plant J., 104, 2020
6OKF
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BU of 6okf by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
著者Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
登録日2019-04-12
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OLT
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BU of 6olt by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
登録日2019-04-17
公開日2020-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKC
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BU of 6okc by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
登録日2019-04-12
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKG
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BU of 6okg by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
著者Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
登録日2019-04-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
分子名称: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020

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