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4B2W
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-18
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4MS5
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Lambda-[Ru(TAP)2(dppz-11,12-(F)2)]2+ bound to CCGGATCCGG
分子名称: (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, DNA
著者Hall, J.P, Cardin, C.J.
登録日2013-09-18
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The effects of disubstitution on the binding of ruthenium complexes to DNA
Thesis, University of Reading, 2014
4ASZ
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BU of 4asz by Molmil
Crystal structure of apo TrkB kinase domain
分子名称: BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4BIH
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BU of 4bih by Molmil
Crystal structure of the conserved staphylococcal antigen 1A, Csa1A
分子名称: CALCIUM ION, UNCHARACTERIZED LIPOPROTEIN SAOUHSC_00053
著者Malito, E, Bottomley, M.J, Spraggon, G, Schluepen, C, Liberatori, S.
登録日2013-04-10
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献Mining the Bacterial Unknown Proteome: Identification and Characterization of a Novel Family of Highly Conserved Protective Antigens in Staphylococcus Aureus
Biochem.J., 455, 2013
3JVK
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BU of 3jvk by Molmil
Crystal structure of bromodomain 1 of mouse Brd4 in complex with histone H3-K(ac)14
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, histone H3.3 peptide
著者Vollmuth, F, Blankenfeldt, W, Geyer, M.
登録日2009-09-17
公開日2009-10-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution
J.Biol.Chem., 284, 2009
4GPW
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BU of 4gpw by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form)
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4B3U
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BU of 4b3u by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-26
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
3K32
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The crystal structure of predicted subunit of tRNA methyltransferase from Methanocaldococcus jannaschii DSM
分子名称: GLYCEROL, Uncharacterized protein MJ0690
著者Wu, R, Zhang, R, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-09-30
公開日2010-01-12
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of predicted subunit of tRNA methyltransferase from Methanocaldococcus jannaschii DSM
To be Published
4GPY
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BU of 4gpy by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4B4B
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BU of 4b4b by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-30
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4N33
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BU of 4n33 by Molmil
Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ...
著者Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
登録日2013-10-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
3K6T
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BU of 3k6t by Molmil
Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans at 2.04 A resolution
分子名称: Female germline-specific tumor suppressor gld-1
著者Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R.
登録日2009-10-09
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
4GQX
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BU of 4gqx by Molmil
Crystal structure of EIIA(NTR) from Burkholderia pseudomallei
分子名称: PTS IIA-like nitrogen-regulatory protein PtsN
著者Kim, M.-S, Shin, D.H.
登録日2012-08-24
公開日2013-03-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New molecular interaction of IIA(Ntr) and HPr from Burkholderia pseudomallei identified by X-ray crystallography and docking studies
Proteins, 81, 2013
3K9F
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BU of 3k9f by Molmil
Detailed structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
分子名称: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA (5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3'), ...
著者Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R.
登録日2009-10-15
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
4GR5
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BU of 4gr5 by Molmil
Crystal structure of SlgN1deltaAsub in complex with AMPcPP
分子名称: CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, L(+)-TARTARIC ACID, ...
著者Herbst, D.A, Zocher, G, Stehle, T.
登録日2012-08-24
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis of the Interaction of MbtH-like Proteins, Putative Regulators of Nonribosomal Peptide Biosynthesis, with Adenylating Enzymes.
J.Biol.Chem., 288, 2013
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
分子名称: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
3KBL
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BU of 3kbl by Molmil
Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans N169A mutant at 2.28 A resolution
分子名称: Female germline-specific tumor suppressor gld-1
著者Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R.
登録日2009-10-20
公開日2010-03-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
4CYN
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BU of 4cyn by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b)
分子名称: (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
登録日2014-04-14
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CPO
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BU of 4cpo by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-08
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPY
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BU of 4cpy by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-09
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
3KC2
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BU of 3kc2 by Molmil
Crystal structure of mitochondrial HAD-like phosphatase from Saccharomyces cerevisiae
分子名称: MAGNESIUM ION, PHOSPHATE ION, Uncharacterized protein YKR070W
著者Nocek, B, Evdokimova, E, Kuznetsova, K, Iakunine, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-10-20
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mitochondrial HAD-like phosphatase from Saccharomyces cerevisiae
To be Published
4D5Q
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Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4Q0N
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Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
分子名称: (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-04-02
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
4H5S
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Complex structure of Necl-2 and CRTAM
分子名称: Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule
著者Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F.
登録日2012-09-18
公開日2013-08-07
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013

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