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
|
|
6B4L
 | |
7L8O
 | | OXA-48 bound by Compound 4.3 | | 分子名称: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2020-12-31 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
|
|
4ANX
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | 分子名称: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Foster, P.G, Lougheed, J.C. | | 登録日 | 2012-03-22 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
|
|
4ANW
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | 分子名称: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | 著者 | Foster, P.G, Lougheed, J.C. | | 登録日 | 2012-03-22 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
|
|
8DNX
 | |
8DNY
 | |
8DNZ
 | |
4ANV
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | 分子名称: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | 著者 | Foster, P.G, Lougheed, J.C. | | 登録日 | 2012-03-22 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
|
|
5K9J
 | | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization. | | 分子名称: | 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34) | | 著者 | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | 登録日 | 2016-05-31 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
|
|
8DO3
 | | Cryo-EM structure of the human Sec61 complex inhibited by eeyarestatin I | | 分子名称: | N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | | 著者 | Park, E, Itskanov, S. | | 登録日 | 2022-07-12 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
|
|
8DNV
 | |
8DNW
 | |
8DO0
 | |
8DO2
 | | Cryo-EM structure of the human Sec61 complex inhibited by cyclotriazadisulfonamide (CADA) | | 分子名称: | 9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | | 著者 | Park, E, Itskanov, S. | | 登録日 | 2022-07-12 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | A common mechanism of Sec61 translocon inhibition by small molecules.
Nat.Chem.Biol., 19, 2023
|
|
8DO1
 | |
5B88
 | | RRM-like domain of DEAD-box protein, CsdA | | 分子名称: | ATP-dependent RNA helicase DeaD | | 著者 | Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y. | | 登録日 | 2016-06-13 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
|
|
4ANU
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | 分子名称: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | 著者 | Foster, P.G, Lougheed, J.C. | | 登録日 | 2012-03-22 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
|
|
4AWP
 | |
3DDW
 | | Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055 | | 分子名称: | (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Nolte, R.T. | | 登録日 | 2008-06-06 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
6DXL
 | | Linked amidobenzimidazole STING agonist | | 分子名称: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | | 著者 | Concha, N.O. | | 登録日 | 2018-06-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
|
|
6DXG
 | | amidobenzimidazole (ABZI) STING agonists | | 分子名称: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | | 著者 | Concha, N.O. | | 登録日 | 2018-06-28 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
|
|
4FWI
 | | Crystal structure of the nucleotide-binding domain of a dipeptide ABC transporter | | 分子名称: | ABC-type dipeptide/oligopeptide/nickel transport system, ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Li, X, Ge, J, Yang, M, Wang, N. | | 登録日 | 2012-07-01 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.892 Å) | | 主引用文献 | Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
|
|
3DDS
 | |
6YAT
 | | Crystal structure of STK4 (MST1) in complex with compound 6 | | 分子名称: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | | 著者 | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-13 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 65, 2022
|
|
