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N-Alkyl &Amp; N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy To Identify Orally Bioavailable Plasma Kallikrein Inhibitors Complex With Compound 15 ((3'R)-1'-(5-Amino-1-Phenyl-1H-Pyrazole-4-Carbonyl)-6-Chloro-5-Fluorospiro[[3,1]Benzoxazine-4,3'-Piperidin]-2(1H)-One)
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.66 Å Release Date: 2026-04-01 Classification: HYDROLASE/INHIBITOR Ligands: MES, A1C6X, NAG |
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N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy To Identify Orally Bioavailable Plasma Kallikrein Inhibitors
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.78 Å Release Date: 2026-03-11 Classification: HYDROLASE/INHIBITOR Ligands: A1C6O |
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N-Alkyl &Amp; N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy To Identify Orally Bioavailable Plasmakallikrein Inhibitors Complex With Compound 4 ((3'R)-1'-(5-Amino-1-Benzyl-1H-Pyrazole-4-Carbonyl)-6-Chloro-5-Fluorospiro[[3,1]Benzoxazine-4,3'-Piperidin]-2(1H)-One)
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.58 Å Release Date: 2026-03-11 Classification: HYDROLASE/INHIBITOR Ligands: MES, A1C6Q, NAG |
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N-Alkyl &Amp; N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy To Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 25 ((3'R)-1'-{(1P)-5-Amino-1-[2-(Trifluoromethoxy)Phenyl]-1H-Pyrazole-4-Carbonyl}-6-Chloro-5-Fluorospiro[[3,1]Benzoxazine-4,3'-Piperidin]-2(1H)-One)
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.62 Å Release Date: 2026-03-11 Classification: HYDROLASE/INHIBITOR Ligands: MES, A1C6Z, NAG |
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N-Alkyl &Amp; N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy To Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-Amino-1-[(2S)-1,1,1-Trifluorobutan-2-Yl]-1H-Pyrazole-4-Carbonyl}-6-Chloro-5-Fluorospiro[[3,1]Benzoxazine-4,3'-Piperidin]-2(1H)-One)
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.73 Å Release Date: 2026-03-11 Classification: HYDROLASE/INHIBITOR Ligands: MES, A1C7M |
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Ketoreductase Engineering For A Chemoenzymatic Fluorination And Dynamic Kinetic Reduction Cascade
Organism: Sporobolomyces salmonicolor
Method: X-RAY DIFFRACTION Resolution:1.48 Å Release Date: 2025-07-30 Classification: OXIDOREDUCTASE Ligands: NAP, K |
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Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.91 Å Release Date: 2024-09-04 Classification: ANTIBIOTIC Ligands: MYR, A1AZR |
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Organism: Acinetobacter baumannii
Method: X-RAY DIFFRACTION Resolution:2.80 Å Release Date: 2024-09-04 Classification: ANTIBIOTIC Ligands: ANP, MVC, MG, A1AZS |
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Discovery Of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen
Organism: Rattus norvegicus
Method: X-RAY DIFFRACTION Resolution:2.28 Å Release Date: 2021-09-08 Classification: TRANSFERASE/INHIBITOR Ligands: ACE, 60I, ZN, MG, PPV |
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Discovery Of An Anion-Dependent Farnesyltransferase Inhibitor From A Phenotypic Screen
Organism: Rattus norvegicus
Method: X-RAY DIFFRACTION Resolution:1.98 Å Release Date: 2021-09-08 Classification: TRANSFERASE/INHIBITOR Ligands: ACE, 60I, ZN, MG, DMA |
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Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:2.51 Å Release Date: 2020-06-24 Classification: BLOOD CLOTTING Ligands: GOL, 6NH, NA, CIT |
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Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:2.25 Å Release Date: 2020-06-24 Classification: BLOOD CLOTTING Ligands: UQG, NA, CIT, GOL |
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Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:2.00 Å Release Date: 2020-06-24 Classification: BLOOD CLOTTING Ligands: UQD, CIT, GOL |
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Discovery Of Mk-8353: An Orally Bioavailable Dual Mechanism Erk Inhibitor For Oncology
Organism: Rattus norvegicus
Method: X-RAY DIFFRACTION Resolution:1.45 Å Release Date: 2018-08-08 Classification: TRANSFERASE/TRANSFERASE INHIBITOR Ligands: SO4, G67 |
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Organism: Rattus norvegicus
Method: X-RAY DIFFRACTION Resolution:1.85 Å Release Date: 2018-05-23 Classification: TRANSFERASE/TRANSFERASE inhibitor Ligands: SO4, F8V |
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Organism: Homo sapiens, Ovis aries
Method: ELECTRON MICROSCOPY Release Date: 2018-03-14 Classification: SIGNALING PROTEIN |
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Organism: Homo sapiens, Ovis aries
Method: ELECTRON MICROSCOPY Release Date: 2018-03-14 Classification: SIGNALING PROTEIN Ligands: NAG |
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Insulin Receptor Ectodomain In Complex With Two Insulin Molecules - C1 Symmetry
Organism: Homo sapiens, Ovis aries
Method: ELECTRON MICROSCOPY Release Date: 2018-03-14 Classification: SIGNALING PROTEIN Ligands: NAG |
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Organism: Fusobacterium nucleatum
Method: X-RAY DIFFRACTION Resolution:2.82 Å Release Date: 2018-02-21 Classification: RNA Ligands: DKM, MG |
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Discovery Of Novel Aminobenzisoxazole Derivatives As Orally Available Factor Ixa Inhibitors
Organism: Homo sapiens
Method: X-RAY DIFFRACTION Resolution:1.54 Å Release Date: 2017-04-26 Classification: HYDROLASE/HYDROLASE inhibitor Ligands: UNL, NA, NHE |