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5IV1
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Solution Structure of DNA Dodecamer with 8-oxoguanine at 4th Position
分子名称: DNA (5'-D(*CP*GP*CP*(8OG)P*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Miears, H.L, Gruber, D.R, Hoppins, J.J, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme.
Plos One, 11, 2016
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
著者Vigouroux, A, Morera, S.
登録日2016-03-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
5IWD
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BU of 5iwd by Molmil
HCMV DNA polymerase subunit UL44 complex with a small molecule
分子名称: 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor
著者Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
登録日2016-03-22
公開日2016-11-30
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
2MS0
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BU of 2ms0 by Molmil
Solution NMR structure pf tRNApro:MLV-Nucleocapsid (1:2) Complex
分子名称: Nucleocapsid protein p10, ZINC ION, tRNApro
著者D'Souza, V, Yildiz, Z.
登録日2014-07-19
公開日2014-09-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing.
Nature, 515, 2014
5J7Q
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BU of 5j7q by Molmil
Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative
分子名称: 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Robertson, M.J, Jorgensen, W.L.
登録日2016-04-06
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26, 2016
5J7T
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BU of 5j7t by Molmil
Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-04-06
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2001 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5IU5
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BU of 5iu5 by Molmil
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2
分子名称: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*IP*CP*CP*GP*A)-3'), Ru(tap)2(dppz) complex
著者Hall, J.P, Cardin, C.J.
登録日2016-03-17
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unexpected enhancement of sensitised photo-oxidation by a Ru(II) complex on replacement of guanine with inosine in DNA
To Be Published
5IVG
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BU of 5ivg by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate
分子名称: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-20
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5J6G
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Recognition of the MHC class Ib molecule H2-Q10 by the natural killer cell receptor Ly49C
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Q10 alpha chain, ...
著者Berry, R, Rossjohn, J.
登録日2016-04-04
公開日2016-07-13
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Recognition of the Major Histocompatibility Complex (MHC) Class Ib Molecule H2-Q10 by the Natural Killer Cell Receptor Ly49C.
J.Biol.Chem., 291, 2016
5J7S
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BU of 5j7s by Molmil
Crystal structure of SM1-71 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-06
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
2N8X
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BU of 2n8x by Molmil
Solution structure of LptE from Pseudomonas Aerigunosa
分子名称: LPS-assembly lipoprotein LptE
著者Moehle, K, Kocherla, H, Jurt, S, Robinson, J, Zerbe, O, Zerbe, K, Bacsa, B.
登録日2015-10-28
公開日2016-05-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure and Dynamics of LptE from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5ITO
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BU of 5ito by Molmil
Structure of the periplasmic binding protein M117N-NocT from A. tumefaciens in complex with octopine
分子名称: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, DI(HYDROXYETHYL)ETHER, ...
著者Vigouroux, A, Morera, S.
登録日2016-03-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
5IVR
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BU of 5ivr by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-[[2-[(3S)-3-[(4-aminophenyl)methylamino]-4-hydroxy-butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
分子名称: CHLORIDE ION, N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5J7P
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BU of 5j7p by Molmil
Macrophage Migration Inhibitory Factor bound to Covalent Inhibitor RDR03785
分子名称: 6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Robertson, M.J, Jorgensen, W.L.
登録日2016-04-06
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26, 2016
5J8I
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BU of 5j8i by Molmil
Crystal structure of TL11-113 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-07
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5JEU
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BU of 5jeu by Molmil
del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+
分子名称: BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ...
著者Hall, J.P, Cardin, C.J.
登録日2016-04-19
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
5JFQ
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BU of 5jfq by Molmil
Geranylgeranyl Pyrophosphate Synthetase from archaeon Geoglobus acetivorans
分子名称: Geranylgeranyl Pyrophosphate Synthetase
著者Petrova, T, Boyko, K.M, Nikolaeva, A.Y, Stekhanova, T.N, Mardanov, A.V, Rakitin, A.L, Ravin, N.V, Popov, V.O.
登録日2016-04-19
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural characterization of geranylgeranyl pyrophosphate synthase GACE1337 from the hyperthermophilic archaeon Geoglobus acetivorans.
Extremophiles, 22, 2018
2MT7
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BU of 2mt7 by Molmil
Solution structure of spider-venom peptide Hs1a
分子名称: Hs1a
著者Klint, J.K, King, G.F, Mobli, M.
登録日2014-08-14
公開日2015-08-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity
To be Published
5JH5
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BU of 5jh5 by Molmil
Structural Basis for the Hierarchical Assembly of the Core of PRC1.1
分子名称: BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ...
著者Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A.
登録日2016-04-20
公開日2016-09-14
最終更新日2016-10-19
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1.
Structure, 24, 2016
5JLJ
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BU of 5jlj by Molmil
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
分子名称: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ...
著者Fung, H.Y, Chook, Y.M.
登録日2016-04-27
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
分子名称: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-05-06
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
5JW5
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BU of 5jw5 by Molmil
Structure of MEDI8852 Fab Fragment
分子名称: MEDI8852 Heavy chain, MEDI8852 Light chain, PHOSPHATE ION
著者Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
登録日2016-05-11
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
2MS1
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BU of 2ms1 by Molmil
Solution NMR structure of tRNApro:MLV Nucleocapsid Protein (1:1) Complex
分子名称: Nucleocapsid protein p10, ZINC ION, tRNApro
著者D'Souza, V, Yildiz, Z.
登録日2014-07-19
公開日2014-09-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing.
Nature, 515, 2014
2MQV
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BU of 2mqv by Molmil
Solution NMR structure of the U5-primer binding site (U5-PBS) domain of murine leukemia virus RNA genome bound to the retroviral nucleocapsid protein
分子名称: Nucleocapsid protein p10, RNA (68-MER), ZINC ION
著者D'Souza, V.M, Yildiz, Z.
登録日2014-06-27
公開日2014-09-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing.
Nature, 515, 2014
2MQT
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BU of 2mqt by Molmil
Solution NMR structure of the U5-primer binding site (U5-PBS) domain of murine leukemia virus RNA genome
分子名称: RNA (68-MER)
著者D'Souza, V, Yildiz, Z.
登録日2014-06-26
公開日2014-09-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing.
Nature, 515, 2014

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