4FCF
| K234R: apo structure of inhibitor resistant beta-lactamase | Descriptor: | 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-05-24 | Release date: | 2012-12-26 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase. J.Med.Chem., 56, 2013
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7RZ0
| Hen egg-white lysozyme with ionic liquid ethanolammonium formate 6.7 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RZ2
| Hen egg-white lysozyme with ionic liquid ethanolammonium formate 4 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RZ1
| Hen egg-white lysozyme with ionic liquid ethanolammonium formate 14.4 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7U9D
| Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with PC(16:0/20:4) | Descriptor: | GLYCEROL, Phosphatidylcholine transfer protein, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate | Authors: | Druzak, S.A. | Deposit date: | 2022-03-10 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Ligand dependent interaction between PC-TP and PPAR delta mitigates diet-induced hepatic steatosis in male mice. Nat Commun, 14, 2023
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6HMK
| POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | Descriptor: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Barkauskaite, E. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6HMN
| POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909 | Descriptor: | 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6HML
| POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | Descriptor: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Barkauskaite, E. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6HMM
| POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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5LHB
| POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262 | Descriptor: | 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Tucker, J, Barkauskaite, E. | Deposit date: | 2016-07-10 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib. ACS Chem. Biol., 11, 2016
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5EP5
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6PZM
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4JLF
| Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Hazra, S, Kurz, S, Blanchard, J, Bonomo, R. | Deposit date: | 2013-03-12 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations. Antimicrob.Agents Chemother., 57, 2013
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4JPM
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4M20
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6NRP
| Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii | Descriptor: | 3-oxoacyl-ACP reductase FabG | Authors: | Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K. | Deposit date: | 2019-01-23 | Release date: | 2019-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases. Sci Rep, 11, 2021
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7RFY
| Importin alpha3 in complex with MERS ORF4B | Descriptor: | Importin subunit alpha-3, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RG0
| Importin alpha2 in complex with MERS ORF4B R24A mutant | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RFX
| Importin alpha2 in complex with MERS ORF4B | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RFZ
| Importin alpha 2 in complex with MERS ORF4B NLS peptide | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RG2
| Importin alpha2 in complex with MERS ORF4B R33A mutant | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RG6
| Importin alpha2 in complex with ORF4B Bat coronavirus HKU5 | Descriptor: | Importin subunit alpha-1, Non-structural protein ORF4b | Authors: | Foster, J.K, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7RG3
| Importin alpha2 in complex with MERS ORF4B R37A mutant | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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7JMU
| Hen egg-white lysozyme with ionic liquid ethylammonium nitrate | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. | Deposit date: | 2020-08-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study. J Colloid Interface Sci, 585, 2021
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7JJM
| Crystal structure of Importin alpha 2 in complex with LSD1 NLS | Descriptor: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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