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2OYQ
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Crystal structure of RB69 gp43 in complex with DNA with 5-NIMP opposite an abasic site analog
分子名称: 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ...
著者Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
登録日2007-02-22
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
3QOQ
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BU of 3qoq by Molmil
Crystal Structure of the Transcription Factor AmrZ in Complex with the 18 Base Pair amrZ1 Binding Site
分子名称: Alginate and motility regulator Z, DNA (5'-D(*AP*CP*TP*GP*GP*CP*AP*AP*AP*AP*CP*GP*CP*CP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*GP*GP*CP*GP*TP*TP*TP*TP*GP*CP*CP*AP*GP*T)-3')
著者Pryor Jr, E.E, Wozniak, D.J, Hollis, T.
登録日2011-02-10
公開日2012-02-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Transcription Factor AmrZ Utilizes Multiple DNA Binding Modes to Recognize Activator and Repressor Sequences of Pseudomonas aeruginosa Virulence Genes.
Plos Pathog., 8, 2012
3QAQ
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BU of 3qaq by Molmil
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
2LDR
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BU of 2ldr by Molmil
Solution structure of Helix-RING domain of Cbl-b in the Tyr363 phosphorylated form
分子名称: E3 ubiquitin-protein ligase CBL-B, ZINC ION
著者Kumeta, H, Kobashigawa, Y, Inagaki, F.
登録日2011-06-01
公開日2011-12-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Autoinhibition and phosphorylation-induced activation mechanisms of human cancer and autoimmune disease-related E3 protein Cbl-b
Proc.Natl.Acad.Sci.USA, 108, 2011
2QNZ
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BU of 2qnz by Molmil
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE
著者Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
登録日2007-07-19
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2N85
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BU of 2n85 by Molmil
NMR structure of OtTx1a - AMP in DPC micelles
分子名称: Spiderine-1a
著者Nadezhdin, K, Romanovskaya, D, Sachkova, M, Vassilevski, A, Grishin, E, Kovalchuk, S, Arseniev, A.
登録日2015-10-05
公開日2016-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Modular toxin from the lynx spider Oxyopes takobius: Structure of spiderine domains in solution and membrane-mimicking environment.
Protein Sci., 26, 2017
2N8P
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BU of 2n8p by Molmil
Solution Structure of Lacticin Q
分子名称: Lacticin Q
著者Acedo, J.Z, van Belkum, M.J, Lohans, C.T, Towle, K.M, Miskolzie, M, Vederas, J.C.
登録日2015-10-22
公開日2016-02-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Solution Structures of Lacticin Q and Aureocin A53 Reveal a Structural Motif Conserved among Leaderless Bacteriocins with Broad-Spectrum Activity.
Biochemistry, 55, 2016
2NQG
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BU of 2nqg by Molmil
Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor.
分子名称: 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit
著者Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
登録日2006-10-31
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
2MTM
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BU of 2mtm by Molmil
NMR structure of RCB-1 peptide
分子名称: Putative uncharacterized protein
著者Boldbaatar, D, Elseedi, H.R.
登録日2014-08-21
公開日2015-09-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthesis, Structural Characterization, and Bioactivity of the Stable Peptide RCB-1 from Ricinus communis.
J Nat Prod, 78, 2015
2QO0
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BU of 2qo0 by Molmil
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL
著者Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
登録日2007-07-19
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2N86
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BU of 2n86 by Molmil
NMR structure of OtTx1a - ICK
分子名称: Spiderine-1a
著者Nadezhdin, K, Romanovskaya, D, Sachkova, M, Vassilevski, A, Grishin, E, Kovalchuk, S, Arseniev, A.
登録日2015-10-05
公開日2016-10-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Modular toxin from the lynx spider Oxyopes takobius: Structure of spiderine domains in solution and membrane-mimicking environment.
Protein Sci., 26, 2017
2N8O
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BU of 2n8o by Molmil
NMR Solution Structure of Aureocin A53
分子名称: Bacteriocin aureocin A53
著者Acedo, J.Z, van Belkum, M.J, Lohans, C.T, Towle, K.M, Miskolzie, M, Vederas, J.C.
登録日2015-10-22
公開日2016-02-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Solution Structures of Lacticin Q and Aureocin A53 Reveal a Structural Motif Conserved among Leaderless Bacteriocins with Broad-Spectrum Activity.
Biochemistry, 55, 2016
2QNX
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BU of 2qnx by Molmil
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid
分子名称: 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE
著者Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
登録日2007-07-19
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2LMI
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BU of 2lmi by Molmil
NMR structure of the protein BC040485 from Homo sapiens
分子名称: G-rich sequence factor 1
著者Dutta, S.K, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-12-01
公開日2011-12-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the human RNA binding protein BC040485
To be Published
2QO1
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BU of 2qo1 by Molmil
2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.
分子名称: 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL
著者Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
登録日2007-07-19
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
4CXM
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BU of 4cxm by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE
著者Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2014-04-07
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4CWA
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BU of 4cwa by Molmil
Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE
著者Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2014-04-01
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4X49
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BU of 4x49 by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, ACETYL GROUP, Anhydrosialidase, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4D7N
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BU of 4d7n by Molmil
TetR(D) in complex with anhydrotetracycline and potassium
分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, POTASSIUM ION, ...
著者Werten, S, Dalm, D, Palm, G.J, Hinrichs, W.
登録日2014-11-25
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
1SR7
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BU of 1sr7 by Molmil
Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate
分子名称: GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ...
著者Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P.
登録日2004-03-22
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
4E3L
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BU of 4e3l by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K
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BU of 4e3k by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4299 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N
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BU of 4e3n by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
5EIR
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BU of 5eir by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-30
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
8PR0
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BU of 8pr0 by Molmil
Cytoplasmic dynein-A heavy chain bound to dynactin-p150glued and IC-LC tower
分子名称: Cytoplasmic dynein 1 heavy chain 1, Cytoplasmic dynein 1 intermediate chain 2, Cytoplasmic dynein 1 light intermediate chain 2, ...
著者Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P.
登録日2023-07-12
公開日2024-03-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024

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