5U6V
 
 | | X-ray crystal structure of 1,2,3-triazolobenzodiazepine in complex with BRD2(D2) | | Descriptor: | 1,2-ETHANEDIOL, 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine, Bromodomain-containing protein 2 | | Authors: | Hatfaludi, T, Sharp, P.P, Garnier, J.-M, Burns, C.J, Czabotar, P.E. | | Deposit date: | 2016-12-09 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.775 Å) | | Cite: | Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors.
ACS Med Chem Lett, 8, 2017
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10MW
 | | N-Alkyl & 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) | | Descriptor: | (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, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, Je, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Poiou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-28 | | Release date: | 2026-03-11 | | Last modified: | 2026-04-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.
Acs Med.Chem.Lett., 17, 2026
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10KZ
 | | N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors | | Descriptor: | (3'R)-1'-(1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, Plasma kallikrein | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-26 | | Release date: | 2026-03-11 | | Last modified: | 2026-04-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.
Acs Med.Chem.Lett., 17, 2026
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10LR
 | | N-Alkyl & 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) | | Descriptor: | (3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-27 | | Release date: | 2026-03-11 | | Last modified: | 2026-04-01 | | Method: | X-RAY DIFFRACTION (1.583 Å) | | Cite: | N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.
Acs Med.Chem.Lett., 17, 2026
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10QS
 | | N-Alkyl & 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) | | Descriptor: | (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, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Plasma kallikrein | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yany, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogowa, A. | | Deposit date: | 2026-02-02 | | Release date: | 2026-03-11 | | Last modified: | 2026-04-01 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.
Acs Med.Chem.Lett., 17, 2026
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10MV
 | | N-Alkyl & 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) | | Descriptor: | (3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Ogawa, A, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-28 | | Release date: | 2026-04-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.
Acs Med.Chem.Lett., 17, 2026
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6MCY
 | | Crystal structure of mouse Bak | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2018-09-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
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7ZL3
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