9BJM
 
 | | Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein | | Authors: | Shaffer, P.L, Milligan, C, Abeywickrema, P. | | Deposit date: | 2024-04-25 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 67, 2024
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6CVH
 | | Identification and biological evaluation of thiazole-based inverse agonists of RORgt | | Descriptor: | Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2018-03-28 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
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6NAD
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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5UE3
 | | proMMP-9desFnII | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ... | | Authors: | Alexander, R.S, Spurlino, J, Milligan, C. | | Deposit date: | 2016-12-29 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
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5UE4
 | | proMMP-9desFnII complexed to JNJ0966 INHIBITOR | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ... | | Authors: | Alexander, R.S, Spurlino, J, Milligan, C. | | Deposit date: | 2016-12-29 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
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2ZA5
 | | Crystal Structure of human tryptase with potent non-peptide inhibitor | | Descriptor: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | | Authors: | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | | Deposit date: | 2007-10-02 | | Release date: | 2008-02-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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7K7L
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7K7Z
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2ZEB
 | | Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | | Descriptor: | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2 | | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | | Deposit date: | 2007-12-08 | | Release date: | 2008-12-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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2ZEC
 | | Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | | Deposit date: | 2007-12-08 | | Release date: | 2008-12-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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3C27
 | | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | | Deposit date: | 2008-01-24 | | Release date: | 2009-02-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
To be Published
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