PDB: 46188 件ウェブページステータス検索Chemie searchBIRD

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3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
1TID	Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: Poised for phosphorylation complex with ATP, crystal form I 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ... 著者 Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigan, J, Leon, F, Darst, S.A, Campbell, E.A. 登録日 2004-06-02 公開日 2004-06-15 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA. J.Mol.Biol., 340, 2004
4LS9	Structure of mycobacterial nrnA homolog reveals multifunctional nuclease activities 分子名称: DHH family protein, GLYCEROL, MANGANESE (II) ION 著者 Kumar, D, Srivastav, R, Grover, A, Manjasetty, B.A, Sharma, R, Taneja, B. 登録日 2013-07-22 公開日 2014-07-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Unique subunit packing in mycobacterial nanoRNase leads to alternate substrate recognitions in DHH phosphodiesterases Nucleic Acids Res., 42, 2014
4LSL	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
7KJX	Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine 分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... 著者 Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. 登録日 2020-10-26 公開日 2021-03-17 最終更新日 2021-05-12 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
7KJV	Structure of HIV-1 reverse transcriptase initiation complex core 分子名称: HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. 登録日 2020-10-26 公開日 2021-03-17 最終更新日 2021-05-12 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
8STT	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor 分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Hollander, K, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
4WMS	STRUCTURE OF APO MBP-MCL1 AT 1.9A 分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... 著者 Clifton, M.C, Dranow, D.M. 登録日 2014-10-09 公開日 2015-05-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
4GM8	Crystal structure of human WD repeat domain 5 with compound MM-102 分子名称: MM-102, WD repeat-containing protein 5 著者 Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. 登録日 2012-08-15 公開日 2013-07-31 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
7KJW	Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz 分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... 著者 Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. 登録日 2020-10-26 公開日 2021-03-17 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
1JTL	The crystal structure of d(GGCCAATTGG) Complexed with Distamycin 分子名称: 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', DISTAMYCIN A 著者 Uytterhoeven, K, Van Meervelt, L. 登録日 2001-08-21 公開日 2002-08-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Two 1 : 1 binding modes for distamycin in the minor groove of d(GGCCAATTGG). Eur.J.Biochem., 269, 2002
2N54	Solution structure of a disulfide stabilized XCL1 dimer 分子名称: Lymphotactin 著者 Tyler, R.C, Tuinstra, R.L, Peterson, F.F, Volkman, B.F. 登録日 2015-07-07 公開日 2015-10-07 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Engineering Metamorphic Chemokine Lymphotactin/XCL1 into the GAG-Binding, HIV-Inhibitory Dimer Conformation. Acs Chem.Biol., 10, 2015
7NTF	Cryo-EM structure of unliganded O-GlcNAc transferase 分子名称: Isoform 1 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit 著者 Meek, R.W, Blaza, J.N, Davies, G.J. 登録日 2021-03-09 公開日 2021-11-17 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (5.32 Å) 主引用文献 Cryo-EM structure provides insights into the dimer arrangement of the O-linked beta-N-acetylglucosamine transferase OGT. Nat Commun, 12, 2021
7KWU	Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) 分子名称: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... 著者 Ruiz, F.X, Arnold, E. 登録日 2020-12-02 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies. J.Med.Chem., 64, 2021
8STR	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor 分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
3VBV	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
8STP	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor 分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (3.09 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
8STS	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor 分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Hollander, K, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (3.02 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
8STQ	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor 分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.955 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
8STU	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor 分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Hollander, K, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
8STV	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor 分子名称: 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... 著者 Hollander, K, Jorgensen, W.L, Anderson, K.S. 登録日 2023-05-11 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
4X34	Crystal structure of the 53BP1 tandem tudor domain in complex with p53K381acK382me2 分子名称: THR-SER-ARG-HIS-ALY-MLY-LEU-MET-PHE-LYS, Tumor suppressor p53-binding protein 1 著者 Tong, Q, Kutateladze, T.G. 登録日 2014-11-27 公開日 2015-03-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 An Acetyl-Methyl Switch Drives a Conformational Change in p53. Structure, 23, 2015
4GM9	Crystal structure of human WD repeat domain 5 with compound MM-401 分子名称: MM-401, WD repeat-containing protein 5 著者 Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. 登録日 2012-08-15 公開日 2014-02-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
7L5W	p97-R155H mutant dodecamer I 分子名称: Transitional endoplasmic reticulum ATPase 著者 Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. 登録日 2020-12-23 公開日 2021-08-04 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.34 Å) 主引用文献 Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021
7L5X	p97-R155H mutant dodecamer II 分子名称: Transitional endoplasmic reticulum ATPase 著者 Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. 登録日 2020-12-23 公開日 2021-08-04 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (6.1 Å) 主引用文献 Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021

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