2QG0
 
 | | HSP90 complexed with A943037 | | 分子名称: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | | 著者 | Park, C.H. | | 登録日 | 2007-06-28 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
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2QFO
 | | HSP90 complexed with A143571 and A516383 | | 分子名称: | (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | | 著者 | Park, C.H. | | 登録日 | 2007-06-27 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
CHEM.BIOL.DRUG DES., 70, 2007
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4QVX
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4QT1
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7KRD
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702) | | 分子名称: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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7KRE
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704) | | 分子名称: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.728 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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7KRF
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) | | 分子名称: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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7KRC
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | | 分子名称: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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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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3OWB
 | | Crystal Structure of HSP90 with VER-49009 | | 分子名称: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha | | 著者 | Park, C.H. | | 登録日 | 2010-09-17 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW6
 | | Crystal Structure of HSP90 with N-Aryl-benzimidazolone I | | 分子名称: | 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | | 著者 | Park, C.H. | | 登録日 | 2010-09-17 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OWD
 | | Crystal Structure of HSP90 with N-Aryl-benzimidazolone II | | 分子名称: | Heat shock protein HSP 90-alpha, N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide | | 著者 | Park, C.H. | | 登録日 | 2010-09-17 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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8YR2
 | | Structure of NET-Nisoxetine in outward-open state | | 分子名称: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y91
 | | Structure of NET-nomifensine in outward-open state | | 分子名称: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y90
 | | Structure of NET-Nefopam in outward-open state | | 分子名称: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y92
 | | structure of NET-Atomoxetine in outward-open state | | 分子名称: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y93
 | | Structure of NET-Amitriptyline in outward-open state | | 分子名称: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y95
 | | Structure of NET-NE in Occluded state | | 分子名称: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | | 著者 | Zhang, H, Xu, H.E, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y8Z
 | | Structure of NET-Maprotiline in outward-open state | | 分子名称: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | | 登録日 | 2024-02-06 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8Y94
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4HYS
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4HYU
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4IZY
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8GHX
 | | Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis | | 分子名称: | 1,2-ETHANEDIOL, Cellulase CelD | | 著者 | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | 登録日 | 2023-03-13 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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8GHY
 | | Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose. | | 分子名称: | Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | 登録日 | 2023-03-13 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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