6RFZ
 
 | | 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
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6RG1
 | | 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
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6RG2
 | | 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
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6RGG
 | | 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
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6RGJ
 | | 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
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6FHY
 | | 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
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6FHX
 | | 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
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6FLU
 | | 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
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8HE7
 | | ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 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, ... | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2022-11-07 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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8HE8
 | | Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 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 | | Authors: | Wang, X.Y, Xu, B.L, Zhou, J. | | Deposit date: | 2022-11-07 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | 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
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6F5W
 | | 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
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6GKE
 | | Aleuria aurantia lectin AAL N224Q mutant in complex with Fucalpha1-6GlcNAc | | Descriptor: | 1,2-ETHANEDIOL, Fucose-specific lectin, GLYCEROL, ... | | Authors: | Houser, J, Wimmerova, M, Herrera, H, Mehta, A.S. | | Deposit date: | 2018-05-19 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structural dynamics and applications of a fucose-binding lectin with enhanced binding to alpha-1,6-linked core fucosylation
To Be Published
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7FCC
 | | IL-1RAcPb TIR domain | | Descriptor: | Isoform 4 of Interleukin-1 receptor accessory protein | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
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7FCJ
 | | Zebrafish SIGIRR TIR domain mutant - C299S | | Descriptor: | SIGIRR protein | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
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7FCH
 | | IL-18Rbeta TIR domain | | Descriptor: | Interleukin-18 receptor accessory protein | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.883 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
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7FD3
 | | IL-1RAPL2 TIR domain | | Descriptor: | X-linked interleukin-1 receptor accessory protein-like 2 | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
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7FCL
 | | Zebrafish SIGIRR TIR domain | | Descriptor: | SIGIRR protein | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
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8CXX
 | | 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
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8CXS
 | | 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
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8CXT
 | | 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
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8CXV
 | | 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
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8CXY
 | | 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
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8CXU
 | | 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
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8CY2
 | | 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
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8CXW
 | | 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
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