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8I43
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Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3GC-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I44
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Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3AU-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I45
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Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3GC-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8IFO
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BU of 8ifo by Molmil
Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter
分子名称: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ...
著者Xu, T, Zhen, X, Liu, J.
登録日2023-02-19
公開日2023-03-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element.
Biochem.Biophys.Res.Commun., 656, 2023
8I46
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Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3AU-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
分子名称: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
7ZOT
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BU of 7zot by Molmil
crystal structure of PLAAT4 N-terminal domain
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase A and acyltransferase 4
著者von Castelmur, E, Perrakis, A, Cornaciu, I.
登録日2022-04-26
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献Crystal structure of the phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain.
J.Struct.Biol., 214, 2022
6X7D
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BU of 6x7d by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SF2523P
分子名称: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
著者Vann, K.R, Kutateladze, T.G.
登録日2020-05-29
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
分子名称: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Fesik, S.W.
登録日2019-12-13
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
4UN2
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BU of 4un2 by Molmil
Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin
分子名称: UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2
著者Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L.
登録日2014-05-23
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A Designed Conformational Shift to Control Protein Binding Specificity.
Angew.Chem.Int.Ed.Engl., 53, 2014
1VKL
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BU of 1vkl by Molmil
RABBIT MUSCLE PHOSPHOGLUCOMUTASE
分子名称: NICKEL (II) ION, PHOSPHOGLUCOMUTASE
著者Ray Junior, W.J, Baranidharan, S, Liu, Y.
登録日1996-07-03
公開日1997-01-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural changes at the metal ion binding site during the phosphoglucomutase reaction.
Biochemistry, 32, 1993
4UP0
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BU of 4up0 by Molmil
Ternary crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a H3K4me2 peptide
分子名称: HISTONE H3.1, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ...
著者Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M.
登録日2014-06-11
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
4UCP
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BU of 4ucp by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine, TETRADECANOYL-COA
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
6XWW
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BU of 6xww by Molmil
Constitutive decay element CDE1 from human 3'UTR
分子名称: CDE1
著者Schwalbe, H, Binas, O.
登録日2020-01-24
公開日2020-05-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6XXS
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BU of 6xxs by Molmil
Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide.
分子名称: B-cell lymphoma 6 protein, Nuclear receptor corepressor 1
著者Zacharchenko, T, Wright, S.C.
登録日2020-01-28
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
4UCN
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BU of 4ucn by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: 2-PIPERAZIN-1-YL-ANILINE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
6X88
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PDE6 chicken GAF domain
分子名称: Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
著者Ke, H.
登録日2020-06-01
公開日2020-11-04
実験手法X-RAY DIFFRACTION (3.1997447 Å)
主引用文献Structural Analysis of the Regulatory GAF Domains of cGMP Phosphodiesterase Elucidates the Allosteric Communication Pathway.
J.Mol.Biol., 432, 2020
8IF5
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BU of 8if5 by Molmil
AFB1-AF26 APTAMER COMPLEX
分子名称: AFB1 DNA aptamer (26-MER), AFLATOXIN B1
著者Xu, G.H, Wang, C, Li, C.G.
登録日2023-02-17
公開日2023-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer.
Nucleic Acids Res., 51, 2023
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
分子名称: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
6XYD
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Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Roske, Y, Heinemann, U, Andrea, E.D.
登録日2020-01-30
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
6XYX
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Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, Nuclear receptor corepressor 1, ...
著者Zacharchenko, T, Wright, S.C.
登録日2020-01-31
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
6XXB
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BU of 6xxb by Molmil
Constitutive decay element CDE1 from human 3'UTR
分子名称: CDE1
著者Schwalbe, H, Binas, O.
登録日2020-01-27
公開日2020-05-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020

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