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6PG9
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WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
分子名称: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PKC
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BU of 6pkc by Molmil
Inhibition of Human Menin by VTP-50469
分子名称: 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide, Menin,Menin
著者McKeever, B.M, Chen, G, Van Orton, R.
登録日2019-06-29
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Menin-MLL Inhibitor Induces Specific Chromatin Changes and Eradicates Disease in Models of MLL-Rearranged Leukemia.
Cancer Cell, 36, 2019
1LLT
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BU of 1llt by Molmil
BIRCH POLLEN ALLERGEN BET V 1 MUTANT E45S
分子名称: POLLEN ALLERGEN BET V 1
著者Spangfort, M.D, Mirza, O, Ipsen, H, Van Neerven, R.J, Gajhede, M, Larsen, J.N.
登録日2002-04-30
公開日2003-10-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Dominating IgE-binding epitope of Bet v 1, the major allergen of birch pollen, characterized by X-ray crystallography and site-directed mutagenesis.
J.Immunol., 171, 2003
8YRG
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BU of 8yrg by Molmil
CryoEM structure of fospropofol-bound MRGPRX4-Gq complex
分子名称: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cao, C, Fay, J.F, Roth, B.L.
登録日2024-03-21
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
6R36
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BU of 6r36 by Molmil
T. brucei farnesyl pyrophosphate synthase (FPPS)
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-03-19
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
分子名称: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
著者Ikemori-Kawada, M, Watanabe Miyano, S.
登録日2024-03-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
6RFT
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BU of 6rft by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus bound to Acetyl-CoA
分子名称: ACETYL COENZYME *A, Uncharacterized N-acetyltransferase D2E36_21790
著者Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
登録日2019-04-16
公開日2019-07-10
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6RKZ
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BU of 6rkz by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ROS
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BU of 6ros by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6ROR
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BU of 6ror by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6RFX
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BU of 6rfx by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus
分子名称: ACETATE ION, CITRIC ACID, Eis2, ...
著者Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
登録日2019-04-16
公開日2019-07-10
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6Y1Q
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BU of 6y1q by Molmil
Cortistatin analog with improved immunoregulatory activity
分子名称: Analog 5, OCTANOIC ACID (CAPRYLIC ACID)
著者Rol, A.
登録日2020-02-13
公開日2021-01-27
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease.
Nat Commun, 12, 2021
6S41
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CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
分子名称: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Focken, T, Maskos, K, Griessner, A, Krapp, S.
登録日2019-06-26
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
6RFY
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BU of 6rfy by Molmil
Crystal structure of Eis2 form Mycobacterium abscessus
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Eis2, SULFATE ION
著者Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
登録日2019-04-16
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6RLW
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BU of 6rlw by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with inhibitor TH5487
分子名称: 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, N-glycosylase/DNA lyase
著者Masuyer, G, Stenmark, P.
登録日2019-05-03
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting OGG1 arrests cancer cell proliferation by inducing replication stress.
Nucleic Acids Res., 48, 2020
4CPL
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BU of 4cpl by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
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2014-02-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (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
6ROU
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BU of 6rou by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from H. parasuis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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
4D5Q
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BU of 4d5q by Molmil
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
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
3FH4
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BU of 3fh4 by Molmil
Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ...
著者Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B.
登録日2008-12-08
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol
Protein Expr.Purif., 66, 2009
6TE5
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BU of 6te5 by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound
分子名称: 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Garavaglia, S.
登録日2019-11-11
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Imidazo[1,2- a ]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
4D5I
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BU of 4d5i by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylotriose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-05
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015

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