2YIX
| Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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7FU5
| Crystal Structure of human cyclic GMP-AMP synthase | 分子名称: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ... | 著者 | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | 登録日 | 2023-02-08 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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7FU7
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2YIS
| triazolopyridine inhibitors of p38 kinase. | 分子名称: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | 登録日 | 2011-05-16 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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3V6G
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3V78
| Crystal Structure of Transcriptional Regulator | 分子名称: | ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | 著者 | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | 登録日 | 2011-12-20 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis. Nucleic Acids Res., 40, 2012
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2JGZ
| Crystal structure of phospho-CDK2 in complex with Cyclin B | 分子名称: | CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN-B1 | 著者 | Brown, N.R, Petri, E, Lowe, E.D, Skamnaki, V, Johnson, L.N. | 登録日 | 2007-02-17 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Cyclin B and cyclin A confer different substrate recognition properties on CDK2. Cell Cycle, 6, 2007
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5DAT
| Complex of yeast 80S ribosome with hypusine-containing eIF5A | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | 著者 | Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M. | 登録日 | 2015-08-20 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome To Be Published
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1M7Q
| Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | 分子名称: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | 著者 | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | 登録日 | 2002-07-22 | 公開日 | 2002-12-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 13, 2003
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2G9J
| Complex of TM1a(1-14)Zip with TM9a(251-284): a model for the polymerization domain ("overlap region") of tropomyosin, Northeast Structural Genomics Target OR9 | 分子名称: | Tropomyosin 1 alpha chain, Tropomyosin 1 alpha chain/General control protein GCN4 | 著者 | Greenfield, N.J, Huang, Y.J, Swapna, G.V.T, Bhattacharya, A, Singh, A, Montelione, G.T, Hitchcock-DeGregori, S.E, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-03-06 | 公開日 | 2006-11-07 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR Structure of the Junction between Tropomyosin Molecules: Implications for Actin Binding and Regulation. J.Mol.Biol., 364, 2006
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4KFB
| HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2013-04-26 | 公開日 | 2013-05-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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6Q7K
| ERK2 mini-fragment binding | 分子名称: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-13 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QA3
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QA1
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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2ZB0
| Crystal structure of P38 in complex with biphenyl amide inhibitor | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | 著者 | Somers, D.O. | 登録日 | 2007-10-13 | 公開日 | 2008-01-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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6QAG
| ERK2 mini-fragment binding | 分子名称: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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1RB4
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7JYM
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST | 分子名称: | (3R,5S)-3-fluoro-5-[(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]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | 著者 | Sack, J. | 登録日 | 2020-08-31 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.051 Å) | 主引用文献 | Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach. Acs Med.Chem.Lett., 11, 2020
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6QA4
| ERK2 mini-fragment binding | 分子名称: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAL
| ERK2 mini-fragment binding | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAW
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAQ
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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1RB5
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2ESN
| The crystal structure of probable transcriptional regulator PA0477 from Pseudomonas aeruginosa | 分子名称: | probable transcriptional regulator | 著者 | Lunin, V.V, Chang, C, Skarina, T, Gorodischenskaya, E, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-10-26 | 公開日 | 2005-11-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The crystal structure of putative transcriptional regulator Pa0477 from Pseudomonas aeruginosa To be Published
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2FBH
| The crystal structure of transcriptional regulator PA3341 | 分子名称: | MERCURY (II) ION, SULFATE ION, ZINC ION, ... | 著者 | Lunin, V.V, Evdokimova, E, Kudritska, M, Osipiuk, J, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-12-09 | 公開日 | 2005-12-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The crystal structure of transcriptional regulator PA3341 To be Published
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