4WF0
 
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5E6G
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5DK4
 | | Crystal structure analysis of Tryptophanyl-trna synthetase from Bacillus stearothermophilus in complex with indolmycin and Mg*ATP | | 分子名称: | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Williams, T, Yin, W.Y, Carter Jr, C.W. | | 登録日 | 2015-09-02 | | 公開日 | 2015-11-18 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selective Inhibition of Bacterial Tryptophanyl-tRNA Synthetases by Indolmycin Is Mechanism-based.
J.Biol.Chem., 291, 2016
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2N8I
 | | Solution NMR Structure of Designed Protein DA05, Northeast Structural Genomics Consortium (NESG) Target OR626 | | 分子名称: | Designed Protein DA05 | | 著者 | Xu, X, Eletsky, A, Federizon, J.F, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-10-15 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design of structurally distinct proteins using strategies inspired by evolution.
Science, 352, 2016
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2N8W
 | | Solution NMR Structure of Designed Protein DA05R1, Northeast Structural Genomics Consortium (NESG) Target OR690 | | 分子名称: | Designed Protein DA05R1 | | 著者 | Eletsky, A, Federizon, J.F, Xu, X, Pulavarti, S, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-10-27 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design of structurally distinct proteins using strategies inspired by evolution.
Science, 352, 2016
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6PL4
 | | TRK-A IN COMPLEX WITH LIGAND 1 | | 分子名称: | High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-06-30 | | 公開日 | 2020-07-01 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain
Acs Med.Chem.Lett., 2021
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5FI4
 | | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | | 分子名称: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | | 登録日 | 2015-12-22 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
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6NSP
 | | TRK-A IN COMPLEX WITH LIGAND 9 | | 分子名称: | High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-01-25 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
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6NSS
 | | TRK-A IN COMPLEX WITH LIGAND 6 | | 分子名称: | High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-01-25 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
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6NPT
 | | TRK-A IN COMPLEX WITH LIGAND 1 | | 分子名称: | 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor | | 著者 | Subramanian, G. | | 登録日 | 2019-01-18 | | 公開日 | 2019-05-22 | | 最終更新日 | 2019-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
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6PMA
 | | TRK-A IN COMPLEX WITH LIGAND | | 分子名称: | High affinity nerve growth factor receptor, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-07-01 | | 公開日 | 2020-02-26 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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6PL1
 | | TRK-A IN COMPLEX WITH LIGAND 1B | | 分子名称: | High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | 著者 | Subramanian, G. | | 登録日 | 2019-06-30 | | 公開日 | 2019-10-09 | | 最終更新日 | 2019-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Lead identification and characterization of hTrkA type 2 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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6PMB
 | | TRK-A IN COMPLEX WITH LIGAND 1a | | 分子名称: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-07-01 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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6PL2
 | | TRK-A IN COMPLEX WITH LIGAND 1a | | 分子名称: | High affinity nerve growth factor receptor, N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | | 著者 | Subramanian, G. | | 登録日 | 2019-06-30 | | 公開日 | 2019-09-04 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
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6PME
 | | TRK-A IN COMPLEX WITH LIGAND | | 分子名称: | High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ... | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-07-01 | | 公開日 | 2020-02-26 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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6PL3
 | | TRK-A IN COMPLEX WITH LIGAND 2a | | 分子名称: | 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate, High affinity nerve growth factor receptor | | 著者 | Subramanian, G. | | 登録日 | 2019-06-30 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
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6PMC
 | | TRK-A IN COMPLEX WITH LIGAND 1a | | 分子名称: | High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | | 著者 | Subramanian, G, Brown, D.G. | | 登録日 | 2019-07-01 | | 公開日 | 2020-02-26 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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3TAM
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3T19
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3T1A
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4I4W
 | | Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Wooldridge, L, Cole, D.K. | | 登録日 | 2012-11-28 | | 公開日 | 2013-01-02 | | 最終更新日 | 2015-11-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Peptide length determines the outcome of TCR/peptide-MHCI engagement.
Blood, 121, 2013
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4DUS
 | | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Sickmier, E.A. | | 登録日 | 2012-02-22 | | 公開日 | 2012-10-10 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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4DI2
 | | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2012-01-30 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
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4DH6
 | | Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | | 分子名称: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Sickmier, E.A. | | 登録日 | 2012-01-27 | | 公開日 | 2012-04-18 | | 最終更新日 | 2013-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
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4FS4
 | | Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Stamford, A. | | 登録日 | 2012-06-26 | | 公開日 | 2012-10-10 | | 最終更新日 | 2014-07-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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