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7RFM
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BU of 7rfm by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFN
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BU of 7rfn by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158
Descriptor: 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
6RGU
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BU of 6rgu by Molmil
Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose
Descriptor: 3-O-methyl-beta-D-glucopyranose, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGW
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BU of 6rgw by Molmil
Photorhabdus asymbiotica lectin PHL in complex with O-methylated PGL-1-derived disaccharide
Descriptor: 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 4-(2-azanylethoxy)phenol, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGR
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BU of 6rgr by Molmil
Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 3-O-methyl-alpha-D-glucopyranose, 3-O-methyl-beta-D-glucopyranose, ACETATE ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: (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, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: (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, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M.
Deposit date:2018-01-28
Release date:2019-02-06
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6LG3
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BU of 6lg3 by Molmil
Crystal structure of a bacterial toxin from Mycobacterium tuberculosis
Descriptor: PhiRv1 phage protein
Authors:Zhou, J, Jiang, Y, Luo, Z, Yin, L.
Deposit date:2019-12-04
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.90057254 Å)
Cite:Mycobacterial EST12 activates a RACK1-NLRP3-gasdermin D pyroptosis-IL-1 beta immune pathway.
Sci Adv, 6, 2020
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
6F5W
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BU of 6f5w by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ...
Authors:Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K.
Deposit date:2017-12-04
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL).
Chemistry, 24, 2018
8CXX
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BU of 8cxx by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Zhou, J, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite: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
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
Descriptor: Myroilysin, ZINC ION
Authors:Zhou, J, Ran, T, Xu, D, Wang, W.
Deposit date:2015-08-01
Release date:2016-08-03
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017

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數據於2024-06-26公開中

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