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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
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
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
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
5ZE4
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BU of 5ze4 by Molmil
The structure of holo- structure of DHAD complex with [2Fe-2S] cluster
Descriptor: ACETATE ION, Dihydroxy-acid dehydratase, chloroplastic, ...
Authors:Zhou, J, Zang, X, Tang, Y, Yan, Y, Gan, J, Wu, L.
Deposit date:2018-02-26
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Resistance-gene-directed discovery of a natural-product herbicide with a new mode of action.
Nature, 559, 2018
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
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
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
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
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
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
7RFK
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BU of 7rfk by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
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 (2.05 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFL
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BU of 7rfl by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946
Descriptor: 1,2-ETHANEDIOL, 5-bromo-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 (2.38 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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
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
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
7FCC
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BU of 7fcc by Molmil
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
7FCJ
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BU of 7fcj by Molmil
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
7FCH
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BU of 7fch by Molmil
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
7FD3
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BU of 7fd3 by Molmil
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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PDB entries from 2024-07-03

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