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4GVU
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BU of 4gvu by Molmil
Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Lyngbyastatin 7, ...
著者Salvador, L.A, Taori, K, Biggs, J.S, Jakoncic, J, Ostrov, D, Paul, V.J, Luesch, H.
登録日2012-08-31
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.
J.Med.Chem., 56, 2013
7ALR
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BU of 7alr by Molmil
Crystal structure of TD1-gatorbulin1 complex
分子名称: (2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ...
著者Oliva, M.A, Diaz, J.F.
登録日2020-10-07
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Gatorbulin-1, a distinct cyclodepsipeptide chemotype, targets a seventh tubulin pharmacological site.
Proc.Natl.Acad.Sci.USA, 118, 2021
6TH7
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BU of 6th7 by Molmil
Structure of porcine pancreatic elastase in complex with tutuilamide
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
著者Koehnke, J, Sikandar, A.
登録日2019-11-18
公開日2020-03-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
4FGX
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Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4DVF
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BU of 4dvf by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4DV9
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BU of 4dv9 by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
3UQR
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BU of 3uqr by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
3UQP
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BU of 3uqp by Molmil
Crystal structure of Bace1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012

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