8D8O
| Cryo-EM structure of substrate unbound PAPP-A | 分子名称: | Pappalysin-1, ZINC ION | 著者 | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | 登録日 | 2022-06-08 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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6VWC
| Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors | 分子名称: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1 | 著者 | Judge, R.A, Judd, A.S. | 登録日 | 2020-02-19 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Acs Med.Chem.Lett., 11, 2020
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7LHB
| Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | 分子名称: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | 著者 | Judge, R.A, Salem, A.H. | 登録日 | 2021-01-21 | 公開日 | 2021-04-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | 主引用文献 | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers. Mol.Cancer Ther., 20, 2021
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6B4U
| Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | 分子名称: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Judge, R.A, Souers, A.J. | 登録日 | 2017-09-27 | 公開日 | 2017-10-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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6B4L
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8V4X
| Structure of MALT1 in complex with an allosteric inhibitor | 分子名称: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | 著者 | Judge, R.A, Pappano, W.N. | 登録日 | 2023-11-29 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | 主引用文献 | Inhibition of MALT1 and BCL2 induces synergistic anti-tumor activity in models of B cell lymphoma. Mol.Cancer Ther., 2024
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8EKX
| Structure of MBP-Mcl-1 in complex with MIK665 | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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7UFG
| Cryo-EM structure of PAPP-A in complex with IGFBP5 | 分子名称: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | 著者 | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | 登録日 | 2022-03-22 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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8EL0
| Structure of MBP-Mcl-1 in complex with a macrocyclic compound | 分子名称: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EL1
| Structure of MBP-Mcl-1 in complex with ABBV-467 | 分子名称: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8SL1
| Cryo-EM structure of PAPP-A2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Judge, R.A, Stoll, V.S, Eaton, D, Hao, Q, Bratkowski, M.A. | 登録日 | 2023-04-20 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | 主引用文献 | Cryo-EM structure of human PAPP-A2 and mechanism of substrate recognition. Commun Chem, 6, 2023
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6E99
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6ED6
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6E9L
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6E9W
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7LH7
| Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor | 分子名称: | Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide | 著者 | Judge, R.A, Tao, Z. | 登録日 | 2021-01-21 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.409 Å) | 主引用文献 | Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor ACS Medicinal Chemistry Letters, 12, 2021
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5VAR
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8VKZ
| Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | 分子名称: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | 著者 | Judge, R.A, Hobson, A.D. | 登録日 | 2024-01-10 | 公開日 | 2024-01-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | 主引用文献 | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Rsc Med Chem, 15, 2024
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5VI9
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5VHB
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5VIB
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5TEG
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5VKC
| Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | 分子名称: | 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | 著者 | Judge, R.A, Souers, A.J. | 登録日 | 2017-04-21 | 公開日 | 2017-05-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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7LAW
| crystal structure of GITR complex with GITR-L | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | 著者 | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | 登録日 | 2021-01-07 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.752 Å) | 主引用文献 | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy. Nat Cancer, 3, 2022
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5DYO
| Fab43.1 complex with flourescein | 分子名称: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ... | 著者 | Longenecker, K.L, Judge, R.A. | 登録日 | 2015-09-25 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein. Biopolymers, 105, 2016
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