2NT7
 
 | | Crystal structure of PTP1B-inhibitor complex | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 1, {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID | | 著者 | Xu, W, Follows, B. | | 登録日 | 2006-11-07 | | 公開日 | 2007-04-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
6XUZ
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 | | 分子名称: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | | 登録日 | 2020-01-21 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
3FH5
 | |
6SZW
 | |
4LIK
 | |
4Z07
 | | Co-crystal structure of the tandem CNB (CNB-A/B) domains of human PKG I beta with cGMP | | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, ISOPROPYL ALCOHOL, SULFATE ION, ... | | 著者 | Kim, J.J, Reger, A.S, Arold, S.T, Kim, C. | | 登録日 | 2015-03-25 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of PKG I:cGMP Complex Reveals a cGMP-Mediated Dimeric Interface that Facilitates cGMP-Induced Activation.
Structure, 24, 2016
|
|
3FMY
 | |
1UKH
 | | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 | | 分子名称: | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, Mitogen-activated protein kinase 8 isoform 4 | | 著者 | Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. | | 登録日 | 2003-08-23 | | 公開日 | 2004-08-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Embo J., 23, 2004
|
|
6T17
 | |
5AE9
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | | 分子名称: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | 登録日 | 2015-08-26 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
|
|
6SGS
 | | Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc | | 分子名称: | DARPin, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrB | | 著者 | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | | 登録日 | 2019-08-05 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
|
|
5AE8
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | 分子名称: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | 登録日 | 2015-08-26 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
|
|
5FMW
 | | The poly-C9 component of the Complement Membrane Attack Complex | | 分子名称: | POLYC9 | | 著者 | Dudkina, N.V, Spicer, B.A, Reboul, C.F, Conroy, P.J, Lukoyanova, N, Elmlund, H, Law, R.H.P, Ekkel, S.M, Kondos, S.C, Goode, R.J.A, Ramm, G, Whisstock, J.C, Saibil, H.R, Dunstone, M.A. | | 登録日 | 2015-11-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | | 主引用文献 | Structure of the Poly-C9 Component of the Complement Membrane Attack Complex
Nat.Commun., 7, 2016
|
|
1UKI
 | | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 | | 分子名称: | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, mitogen-activated protein kinase 8 isoform 4 | | 著者 | Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. | | 登録日 | 2003-08-23 | | 公開日 | 2004-08-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Embo J., 23, 2004
|
|
4L94
 | | Crystal structure of Human Hsp90 with S46 | | 分子名称: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | | 著者 | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | | 登録日 | 2013-06-18 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
|
|
3EZV
 | | CDK-2 with indazole inhibitor 9 bound at its active site | | 分子名称: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | 著者 | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | 登録日 | 2008-10-23 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3F11
 | | Structure of futa1 with iron(III) | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, Iron transport protein, ... | | 著者 | Koropatkin, N.M, Randich, A.M, Bhattachryya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | | 登録日 | 2008-10-27 | | 公開日 | 2008-11-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of the iron-binding protein, FutA1, from Synechocystis 6803
J.Biol.Chem., 282, 2007
|
|
5O98
 | | Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ | | 分子名称: | Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. | | 登録日 | 2017-06-16 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
|
|
8QED
 | | S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ... | | 著者 | Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8QEE
 | | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
1R57
 | | NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus. Northeast Structural Genomics Consortium Target ZR31 | | 分子名称: | conserved hypothetical protein | | 著者 | Cort, J.R, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2003-10-09 | | 公開日 | 2004-03-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins.
J.STRUCT.FUNCT.GENOM., 9, 2008
|
|
8QEC
 | | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
1R6G
 | | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | | 分子名称: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | | 著者 | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | | 登録日 | 2003-10-15 | | 公開日 | 2005-02-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
|
|
3DMZ
 | |
7JU6
 | | Structure of RET protein tyrosine kinase in complex with selpercatinib | | 分子名称: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib | | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | 登録日 | 2020-08-19 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
|
|
