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6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RG1
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BU of 6rg1 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RG2
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BU of 6rg2 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with 3-O-methyl-D-glucose
分子名称: 3-O-methyl-alpha-D-glucopyranose, 3-O-methyl-beta-D-glucopyranose, ACETATE ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGG
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BU of 6rgg by Molmil
Photorhabdus laumondii lectin PLL2 in complex with O-methylated PGL-1-derived disaccharide
分子名称: 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGJ
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BU of 6rgj by Molmil
Photorhabdus asymbiotica lectin PHL in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6FHY
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BU of 6fhy by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FHX
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BU of 6fhx by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FLU
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BU of 6flu by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-28
公開日2019-02-06
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
8HE7
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BU of 8he7 by Molmil
ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HE8
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BU of 8he8 by Molmil
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Xu, B.L, Zhou, J.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
6F5W
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BU of 6f5w by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K.
登録日2017-12-04
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL).
Chemistry, 24, 2018
6GKE
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BU of 6gke by Molmil
Aleuria aurantia lectin AAL N224Q mutant in complex with Fucalpha1-6GlcNAc
分子名称: 1,2-ETHANEDIOL, Fucose-specific lectin, GLYCEROL, ...
著者Houser, J, Wimmerova, M, Herrera, H, Mehta, A.S.
登録日2018-05-19
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural dynamics and applications of a fucose-binding lectin with enhanced binding to alpha-1,6-linked core fucosylation
To Be Published
7FCC
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BU of 7fcc by Molmil
IL-1RAcPb TIR domain
分子名称: Isoform 4 of Interleukin-1 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCJ
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BU of 7fcj by Molmil
Zebrafish SIGIRR TIR domain mutant - C299S
分子名称: SIGIRR protein
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCH
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BU of 7fch by Molmil
IL-18Rbeta TIR domain
分子名称: Interleukin-18 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FD3
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BU of 7fd3 by Molmil
IL-1RAPL2 TIR domain
分子名称: X-linked interleukin-1 receptor accessory protein-like 2
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCL
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BU of 7fcl by Molmil
Zebrafish SIGIRR TIR domain
分子名称: SIGIRR protein
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
8CXX
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BU of 8cxx by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXS
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BU of 8cxs by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXT
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BU of 8cxt by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXV
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BU of 8cxv by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXY
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BU of 8cxy by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXU
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BU of 8cxu by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY2
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BU of 8cy2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXW
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BU of 8cxw by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023

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