5G3M
| Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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6G5J
| Secreted phospholipase A2 type X in complex with ligand | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Oster, L. | Deposit date: | 2018-03-29 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
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8DND
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6TMY
| Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus | Descriptor: | CHLORIDE ION, Phospholipase A2 crotoxin basic subunit CBc, SODIUM ION, ... | Authors: | Nemecz, D, Ostrowski, M, Saul, F.A, Faure, G. | Deposit date: | 2019-12-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Isoform CBd of the Basic Phospholipase A 2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets. Molecules, 25, 2020
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5G3N
| Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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4UY1
| Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | Descriptor: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | Deposit date: | 2014-08-28 | Release date: | 2014-10-15 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening Bioorg.Med.Chem.Lett., 24, 2014
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6CE2
| Crystal structure of Myotoxin I (MjTX-I) from Bothrops moojeni complexed to inhibitor suramin | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 1 | Authors: | Salvador, G.H.M, Fontes, M.R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional characterization of suramin-bound MjTX-I from Bothrops moojeni suggests a particular myotoxic mechanism. Sci Rep, 8, 2018
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4WTB
| BthTX-I, a svPLA2s-like toxin, complexed with zinc ions | Descriptor: | Basic phospholipase A2 homolog bothropstoxin-1, CHLORIDE ION, SULFATE ION, ... | Authors: | Borges, R.J, Fontes, M.R.M. | Deposit date: | 2014-10-29 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Functional and structural studies of a Phospholipase A2-like protein complexed to zinc ions: Insights on its myotoxicity and inhibition mechanism. Biochim. Biophys. Acta, 1861, 2017
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6PWH
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7LYE
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6Q42
| Crystal Structure of Human Pancreatic Phospholipase A2 | Descriptor: | CHLORIDE ION, Phospholipase A2 | Authors: | Saul, F, Haouz, A, Lambeau, G, Theze, J. | Deposit date: | 2018-12-05 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | PLA2G1B is involved in CD4 anergy and CD4 lymphopenia in HIV-infected patients. J.Clin.Invest., 130, 2020
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6DIK
| Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, BICARBONATE ION, Basic phospholipase A2 homolog bothropstoxin-1, ... | Authors: | Cardoso, F.F, Salvador, G.H.M, Borges, R.J. | Deposit date: | 2018-05-23 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural basis of phospholipase A2-like myotoxin inhibition by chicoric acid, a novel potent inhibitor of ophidian toxins. Biochim Biophys Acta Gen Subj, 1862, 2018
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7M6C
| Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox | Descriptor: | Basic phospholipase A2, LAURIC ACID | Authors: | Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D. | Deposit date: | 2021-03-25 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM Iucrj, 9, 2022
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5OWC
| Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | Descriptor: | 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | Deposit date: | 2017-08-31 | Release date: | 2018-08-01 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors. Acs Med.Chem.Lett., 9, 2018
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7RJZ
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6KQU
| Crystal structure of phospholipase A2 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, T, Liu, J. | Deposit date: | 2019-08-18 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE. Biochimie, 176, 2020
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7RJI
| BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid | Descriptor: | BthTX-IIb, SODIUM ION, STEARIC ACID, ... | Authors: | Borges, R.J, Fontes, M.R.M. | Deposit date: | 2021-07-21 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
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5OW8
| Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | Descriptor: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | Deposit date: | 2017-08-31 | Release date: | 2018-08-01 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors. Acs Med.Chem.Lett., 9, 2018
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5P2P
| X-RAY STRUCTURE OF PHOSPHOLIPASE A2 COMPLEXED WITH A SUBSTRATE-DERIVED INHIBITOR | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2, PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | Deposit date: | 1990-09-01 | Release date: | 1991-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor. Nature, 347, 1990
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7ROX
| BthTX-I complexed with inhibitor MMV | Descriptor: | 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I | Authors: | Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M. | Deposit date: | 2021-08-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis. Biochimie, 206, 2023
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4YU7
| Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ... | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids. Plos One, 10, 2015
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4YV5
| Crystal Structure of Myotoxin II from Bothrops moojeni complexed to Suramin | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 2, ... | Authors: | Salvador, G.H.M, Fontes, M.R.M. | Deposit date: | 2015-03-19 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional evidence for membrane docking and disruption sites on phospholipase A2-like proteins revealed by complexation with the inhibitor suramin. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4YZ7
| Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 9-HYDROXY ARISTOLOCHIC ACID, Basic phospholipase A2 homolog piratoxin-1, ... | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | Deposit date: | 2015-03-24 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9589 Å) | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids. Plos One, 10, 2015
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6MQF
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6MQD
| Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Basic phospholipase A2 homolog 2 | Authors: | Salvador, G.H.M, Fontes, M.R.M. | Deposit date: | 2018-10-09 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches. Sci Rep, 9, 2019
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