7FAU
 
 | | Structure Determination of the NB1B11-RBD Complex | | 分子名称: | NB_1B11, Spike protein S1, ZINC ION | | 著者 | Shi, Z.Z, Li, X.X, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C, Cui, Q.Q, Qiao, H.R, Lan, Z.Y, Zhang, X. | | 登録日 | 2021-07-07 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural basis of nanobodies neutralizing SARS-CoV-2 variants.
Structure, 30, 2022
|
|
5XY9
 | | Structure of the MST4 and 14-3-3 complex | | 分子名称: | 14-3-3 protein zeta/delta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, ... | | 著者 | Shi, Z.B, Zhou, Z.C. | | 登録日 | 2017-07-06 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Structure of the MST4 and 14-3-3 complex
To Be Published
|
|
4MU7
 | | Crystal structure of cIAP1 BIR3 bound to T3450325 | | 分子名称: | (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | 著者 | Snell, G.P, Dougan, D.R. | | 登録日 | 2013-09-20 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
|
|
4MTI
 | | Crystal structure of cIAP1 BIR3 bound to T3258042 | | 分子名称: | (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | 著者 | Snell, G.P, Dougan, D.R. | | 登録日 | 2013-09-19 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
|
|
4FI9
 | | Structure of human SUN-KASH complex | | 分子名称: | Nesprin-2, SUN domain-containing protein 2 | | 著者 | Wang, W.J, Shi, Z.B. | | 登録日 | 2012-06-08 | | 公開日 | 2012-07-18 | | 最終更新日 | 2013-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
|
|
4OUM
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
7BQY
 | | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-03-26 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
|
|
8SE6
 | | NKG2D complexed with inhibitor 36 | | 分子名称: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | 登録日 | 2023-04-08 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
|
|
8SE5
 | | NKG2D complexed with inhibitor 14 | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-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 | 2023-04-08 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
|
|
8KCI
 | | ATP-bound hMRP5 outward-open | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 5, MAGNESIUM ION | | 著者 | Liu, Z.M, Huang, Y. | | 登録日 | 2023-08-07 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.94 Å) | | 主引用文献 | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
4GEH
 | |
4OUS
 | |
4QR3
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | 分子名称: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | 登録日 | 2014-06-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
|
|
4QR4
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | 分子名称: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | 登録日 | 2014-06-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
|
|
4QR5
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | 分子名称: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | 登録日 | 2014-06-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
|
|
4OUL
 | |
6WSL
 | | Cryo-EM structure of VASH1-SVBP bound to microtubules | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Small vasohibin-binding protein, ... | | 著者 | Li, F, Li, Y, Yu, H. | | 登録日 | 2020-05-01 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Cryo-EM structure of VASH1-SVBP bound to microtubules.
Elife, 9, 2020
|
|
6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
|
|
