6B3C
 
 | |
6B3H
 | | Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | | 分子名称: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | | 著者 | Su, H.P. | | 登録日 | 2017-09-21 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
|
|
6BNY
 | | TBK1 in complex with tetrazole analog of amlexanox | | 分子名称: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | | 著者 | Beyett, T.S, Tesmer, J.J.G. | | 登録日 | 2017-11-17 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.341 Å) | | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
|
|
6BOD
 | | TBK1 in complex with ethyl ester analog of amlexanox | | 分子名称: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | | 著者 | Beyett, T.S, Tesmer, J.J.G. | | 登録日 | 2017-11-19 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.197 Å) | | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
|
|
7BG0
 | |
5DJ4
 | |
6BOE
 | | TBK1 in complex with amide-coupled tetrazole analog of amlexanox | | 分子名称: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | | 著者 | Beyett, T.S, Tesmer, J.J.G. | | 登録日 | 2017-11-19 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
|
|
5DPN
 | | Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG. | | 分子名称: | CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Ohlin, M. | | 登録日 | 2015-09-13 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Biochemistry, 54, 2015
|
|
5BPT
 | |
1AIQ
 | |
5BPZ
 | | Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain | | 分子名称: | 1,2-ETHANEDIOL, Anapc5 protein | | 著者 | Cronin, N, Yang, J, Zhang, Z, Barford, D. | | 登録日 | 2015-05-28 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
|
|
6CET
 | | Cryo-EM structure of GATOR1 | | 分子名称: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3 | | 著者 | Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M. | | 登録日 | 2018-02-12 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes.
Nature, 556, 2018
|
|
6B3F
 | |
6CQ5
 | | TBK1 in Complex with Sulfone Analog of Amlexanox | | 分子名称: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | 著者 | Beyett, T.S, Tesmer, J.J.G. | | 登録日 | 2018-03-14 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.354 Å) | | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
|
|
1B02
 | | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE) | | 著者 | Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P. | | 登録日 | 1998-11-16 | | 公開日 | 1999-03-29 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of thymidylate synthase A from Bacillus subtilis.
Protein Sci., 8, 1999
|
|
6CES
 | | Cryo-EM structure of GATOR1-RAG | | 分子名称: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | | 著者 | Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M. | | 登録日 | 2018-02-12 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes.
Nature, 556, 2018
|
|
6CQ4
 | | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | | 分子名称: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | 著者 | Beyett, T.S, Tesmer, J.J.G. | | 登録日 | 2018-03-14 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
|
|
1N2R
 | | A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition. | | 分子名称: | ACETIC ACID, Beta-2-microglobulin, HLA DPA*0201 PEPTIDE, ... | | 著者 | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | | 登録日 | 2002-10-24 | | 公開日 | 2004-03-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
J.Exp.Med., 198, 2003
|
|
5HMR
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor 3FMTDZ | | 分子名称: | 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Kopecny, D, Koncitikova, R, Briozzo, P. | | 登録日 | 2016-01-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
|
|
5HQX
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ | | 分子名称: | 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Kopecny, D, Koncitikova, R, Briozzo, P. | | 登録日 | 2016-01-22 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
|
|
1M6O
 | | Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide | | 分子名称: | Beta-2-microglobulin, HLA DPA*0201 peptide, HLA class I histocompatibility antigen, ... | | 著者 | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N.A, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | | 登録日 | 2002-07-17 | | 公開日 | 2003-09-02 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
J.Exp.Med., 198, 2003
|
|
7ZB3
 | |
7ZEQ
 | |
7ZDY
 | |
6H4V
 | | Crystal structure of human KDM4A in complex with compound 34g | | 分子名称: | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
|
|
