5Y9O
 
 | | The apo structure of Legionella pneumophila WipA | | Descriptor: | IODIDE ION, WipA | | Authors: | Xie, W, Jia, Q. | | Deposit date: | 2017-08-26 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Legionella pneumophila effector WipA, a bacterial PPP protein phosphatase with PTP activity
Acta Biochim. Biophys. Sin. (Shanghai), 50, 2018
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5YX2
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6E8Q
 | | S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | | Deposit date: | 2018-07-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019
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3NK7
 | | Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex | | Descriptor: | 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | | Deposit date: | 2010-06-18 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
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3NK6
 | | Structure of the Nosiheptide-resistance methyltransferase | | Descriptor: | 23S rRNA methyltransferase | | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | | Deposit date: | 2010-06-18 | | Release date: | 2010-07-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
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8K3R
 | | S. cerevisiae Chs1 in apo state incubated with GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-16 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3U
 | | S. cerevisiae Chs1 in complex with UDP and GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3W
 | | S. cerevisiae Chs1 in complex with UDP-GlcNAc and GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3X
 | | S. cerevisiae Chs1 in complex with Nikkomycin Z | | Descriptor: | (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1 | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8JZN
 | | Structure of a fungal 1,3-beta-glucan synthase | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | | Deposit date: | 2023-07-05 | | Release date: | 2023-10-04 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structure of a fungal 1,3-beta-glucan synthase.
Sci Adv, 9, 2023
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8K3Q
 | | S. cerevisiae Chs1 in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-16 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3V
 | | S. cerevisiae Chs1 in complex with UDP-GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3T
 | | S. cerevisiae Chs1 in complex with UDP | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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5HN2
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5HNJ
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6MUM
 | | Murine PI3K delta kinsae domain - cpd 3 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | | Authors: | Fischmann, T.O. | | Deposit date: | 2018-10-23 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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6K0Y
 | | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | | Authors: | Liu, J.X, Wang, G.Q. | | Deposit date: | 2019-05-08 | | Release date: | 2019-12-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
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6MUL
 | | Murine PI3K delta kinsae domain - cpd 1 | | Descriptor: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Fischmann, T.O. | | Deposit date: | 2018-10-23 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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7ML9
 | | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | | Authors: | Rydel, T.J, Zheng, M, Evdokimov, A. | | Deposit date: | 2021-04-27 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
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7YGG
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7LM2
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C | | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | Authors: | Lesburg, C.A, Augustin, M. | | Deposit date: | 2021-02-05 | | Release date: | 2021-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
J.Med.Chem., 64, 2021
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5IWI
 | | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | | Descriptor: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ... | | Authors: | Bax, B.D, Miles, T.J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
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5HNQ
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5IWM
 | | 2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA. | | Descriptor: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Bax, B.D, Miles, T.J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
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6B2X
 | | Apo YiuA Crystal Form 1 | | Descriptor: | CHLORIDE ION, SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter | | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal.
Acta Crystallogr D Struct Biol, 73, 2017
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