4OV9
 
 | | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | | 分子名称: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | 登録日 | 2014-02-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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5T92
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | | 分子名称: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | | 著者 | Kirby, C, Baird, J. | | 登録日 | 2016-09-09 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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5T97
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | 分子名称: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | | 著者 | Kirby, C.A, Baird, J. | | 登録日 | 2016-09-09 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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7JTP
 | | Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | | 分子名称: | Elongin-B, Elongin-C, GLYCEROL, ... | | 著者 | Kottur, J, Jain, R, Aggarwal, A.K. | | 登録日 | 2020-08-18 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
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7JTO
 | | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | | 著者 | Kottur, J, Jain, R, Aggarwal, A.K. | | 登録日 | 2020-08-18 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
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5FEJ
 | | CopM in the Cu(I)-bound form | | 分子名称: | COPPER (I) ION, CopM | | 著者 | Zhao, S, Wang, X, Liu, L. | | 登録日 | 2015-12-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
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5FFA
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6U25
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | | 分子名称: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | 著者 | Sack, J. | | 登録日 | 2019-08-19 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
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4S3G
 | | Structure of the F249X mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus | | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | | 著者 | He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F. | | 登録日 | 2015-01-26 | | 公開日 | 2015-07-01 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
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3PXG
 | | Structure of MecA121 and ClpC1-485 complex | | 分子名称: | Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB | | 著者 | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | | 登録日 | 2010-12-09 | | 公開日 | 2011-03-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.654 Å) | | 主引用文献 | Structure and mechanism of the hexameric MecA-ClpC molecular machine.
Nature, 471, 2011
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5I40
 | | BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | | 分子名称: | 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ... | | 著者 | Murray, J.M. | | 登録日 | 2016-02-11 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.0402 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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8KGE
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4RV3
 | | Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus | | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | | 著者 | He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F. | | 登録日 | 2014-11-24 | | 公開日 | 2015-07-01 | | 最終更新日 | 2018-08-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
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5I1Q
 | | Second bromodomain of TAF1 bound to a pyrrolopyridone compound | | 分子名称: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | | 著者 | Tang, Y, Poy, F, Bellon, S.F. | | 登録日 | 2016-01-09 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5J9Q
 | | Crystal structure of the NuA4 core complex | | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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8EA8
 | | NKG2D complexed with inhibitor 4a | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA7
 | | NKG2D complexed with inhibitor 3g | | 分子名称: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA5
 | | NKG2D complexed with inhibitor 1a | | 分子名称: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA9
 | | NKG2D complexed with inhibitor 4d | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
 | | NKG2D complexed with inhibitor 4f | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-05-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA6
 | | NKG2D complexed with inhibitor 3e | | 分子名称: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAA
 | | NKG2D complexed with inhibitor 4e | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2022-08-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5J9W
 | | Crystal structure of the NuA4 core complex | | 分子名称: | ACETYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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8JY6
 | | Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol | | 分子名称: | Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | | 著者 | Chen, W, Wang, C. | | 登録日 | 2023-07-03 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
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8JY7
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