3T0R
 
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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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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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5WZT
 | | Crystal structure of human secreted phospholipase A2 group IIE with Compound 14 | | Descriptor: | 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | | Deposit date: | 2017-01-18 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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3CBI
 | | Crystal structure of the ternary complex of phospholipase A2 with ajmaline and anisic acid at 3.1 A resolution | | Descriptor: | 4-METHOXYBENZOIC ACID, AJMALINE, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Vikram, G, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2008-02-22 | | Release date: | 2008-03-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of the ternary complex of phospholipase A2 with ajmaline and anisic acid at 3.1 A resolution
To be Published
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2FNX
 | | Design of Specific Peptide Inhibitors of Phospholipase A2 (PLA2): Crystal Structure of the Complex of PLA2 with a Highly Potent Peptide Val-Ile-Ala-Lys at 2.7A Resolution | | Descriptor: | Inhibitor peptide, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | | Authors: | Singh, N, Srivastava, P, Sharma, S, Dey, S, Singh, T.P. | | Deposit date: | 2006-01-11 | | Release date: | 2006-01-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of Specific Peptide Inhibitors of Phospholipase A2 (PLA2): Crystal Structure of the Complex of PLA2 with a Highly Potent Peptide Val-Ile-Ala-Lys at 2.7A Resolution
To be Published
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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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3L30
 | | Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine | | Descriptor: | 4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Naveen, C, Prasanth, G.K, Abhilash, J, Pradeep, M, Ponnuraj, K, Sadasivan, C, Haridas, M. | | Deposit date: | 2009-12-16 | | Release date: | 2010-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
To be Published
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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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8DND
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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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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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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: | 2024-10-09 | | 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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7LYE
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4DBK
 | | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine | | Descriptor: | BERBERINE, CALCIUM ION, Phospholipase A2, ... | | Authors: | Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
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4BP2
 | | CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R. | | Deposit date: | 1990-09-07 | | Release date: | 1991-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
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4E4C
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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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6PWH
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6MQF
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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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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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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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4DCF
 | | Structure of MTX-II from Bothrops brazili | | Descriptor: | MTX-II chain A, TETRAETHYLENE GLYCOL | | Authors: | Ullah, A, Souza, T.A.C.B, Betzel, C, Murakami, M.T, Arni, R.K. | | Deposit date: | 2012-01-17 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic portrayal of different conformational states of a Lys49 phospholipase A2 homologue: insights into structural determinants for myotoxicity and dimeric configuration.
Int.J.Biol.Macromol., 51, 2012
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4QGD
 | | Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-05-22 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
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