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3V6K
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BU of 3v6k by Molmil
Replication of N2,3-Ethenoguanine by DNA Polymerases
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*AP*CP*(EFG)P*GP*AP*AP*TP*CP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*GP*AP*TP*TP*CP*(2DT))-3'), ...
著者Zhao, L.
登録日2011-12-20
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Replication of n(2) ,3-ethenoguanine by DNA polymerases.
Angew.Chem.Int.Ed.Engl., 51, 2012
8AZE
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BU of 8aze by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075306)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ...
著者Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
登録日2022-09-06
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
4BUS
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BU of 4bus by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid
分子名称: 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
5XXU
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BU of 5xxu by Molmil
Small subunit of Toxoplasma gondii ribosome
分子名称: 18S RNA, Ribosomal protein eL41, Ribosomal protein eS1, ...
著者LI, Z, Guo, Q, Zheng, L, Ji, Y, Xie, Y, Lai, D, Lun, Z, Suo, X, Gao, N.
登録日2017-07-05
公開日2017-08-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Cryo-EM structures of the 80S ribosomes from human parasites Trichomonas vaginalis and Toxoplasma gondii
Cell Res., 27, 2017
1EI2
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BU of 1ei2 by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF THE RNA MAJOR GROOVE IN THE TAU EXON 10 SPLICING REGULATORY ELEMENT BY AMINOGLYCOSIDE ANTIBIOTICS
分子名称: NEOMYCIN, TAU EXON 10 SRE RNA
著者Varani, L, Spillantini, M.G, Goedert, M, Varani, G.
登録日2000-02-23
公開日2000-03-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for recognition of the RNA major groove in the tau exon 10 splicing regulatory element by aminoglycoside antibiotics.
Nucleic Acids Res., 28, 2000
4CBT
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BU of 4cbt by Molmil
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-16
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
1LWF
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BU of 1lwf by Molmil
CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K.
登録日2002-05-31
公開日2002-10-30
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
4BUF
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BU of 4buf by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
3V5A
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BU of 3v5a by Molmil
Crystal Structure of C-lobe of Bovine Lactoferrin Complexed with Gamma Amino Butyric Acid at 1.44 A Resolution
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, C-TERMINAL PEPTIDE OF LACTOTRANSFERRIN, ...
著者Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-12-16
公開日2011-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure of C-lobe of Bovine Lactoferrin Complexed with Gamma Amino Butyric Acid at 1.44 A Resolution
To be Published
8TWL
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BU of 8twl by Molmil
Cryo-EM structure of Aldolase collected by SerialEM on Glacios at 2.7 Angstrom resolution
分子名称: Fructose-bisphosphate aldolase A
著者Jia, L, Ruben, E.A, Olsen, S.K, Wasmuth, E.V.
登録日2023-08-21
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of Aldolase collected by SerialEM on Glacios at 2.7 Angstrom resolution
To Be Published
4BUW
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BU of 4buw by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
8AXU
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BU of 8axu by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075297)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
登録日2022-09-01
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
5MKU
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BU of 5mku by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-05
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
8TUE
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BU of 8tue by Molmil
Cryo-EM structure of Apoferritin collected by Leginon on Glacios at 2.1 Angstrom resolution
分子名称: FE (III) ION, Ferritin heavy chain, ZINC ION
著者Jia, L, Ruben, E.A, Olsen, S.K, Wasmuth, E.V.
登録日2023-08-16
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Cryo-EM structure of Apoferritin collected by Leginon on Glacios at 2.1 Angstrom resolution
To Be Published
5MMC
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BU of 5mmc by Molmil
Trypanosoma brucei Pex14 N-terminal domain
分子名称: Peroxin 14
著者Emmanouilidis, L, Tripsianes, K, Sattler, M.
登録日2016-12-09
公開日2017-03-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
8TXU
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BU of 8txu by Molmil
Fab 3864-10 in complex with influenza HA H3-SING16
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 3864-10 Heavy Chain, Fab 3864-10 Light Chain, ...
著者Morano, N.C, Shapiro, L.
登録日2023-08-24
公開日2024-09-11
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Fab 3864-6 in complex with influenza HA H3-VIC11
To Be Published
8TWM
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BU of 8twm by Molmil
Cryo-EM structure of Aldolase collected by Leginon on Glacios at 2.6 Angstrom resolution
分子名称: Fructose-bisphosphate aldolase A
著者Jia, L, Ruben, E.A, Olsen, S.K, Wasmuth, E.V.
登録日2023-08-21
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cryo-EM structure of Aldolase collected by Leginon on Glacios at 2.6 Angstrom resolution
To Be Published
5Y4R
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BU of 5y4r by Molmil
Structure of a methyltransferase complex
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Chemotaxis protein methyltransferase 1, Cyclic diguanosine monophosphate-binding protein PA4608, ...
著者Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G.
登録日2017-08-04
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
8TX3
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BU of 8tx3 by Molmil
Fab 3864-6 in complex with influenza HA H3-VIC11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 3864-6 Heavy Chain, Fab 3864-6 Light Chain, ...
著者Morano, N.C, Shapiro, L.
登録日2023-08-22
公開日2024-09-11
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Fab 3864-6 in complex with influenza HA H3-VIC11
To Be Published
1OAJ
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BU of 1oaj by Molmil
Active site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase
分子名称: COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION
著者Cioni, P, Pesce, A, Rocca, B.M.D, Castelli, S, Falconi, M, Parrilli, L, Bolognesi, M, Strambini, G, Desideri, A.
登録日2003-01-14
公開日2003-02-27
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Active-Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase
J.Mol.Biol., 326, 2003
8QFA
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BU of 8qfa by Molmil
Solution structure of the extreme C-terminus of the Bordetella pertussis filamentous hemagglutinin prodomain
分子名称: FHA protein
著者Jurnecka, D, Chmelik, J, Bumba, L.
登録日2023-09-04
公開日2024-09-11
実験手法SOLUTION NMR
主引用文献Solution structure of the extreme C-terminus of the Bordetella pertussis filamentous hemagglutinin prodomain
To Be Published
3VCE
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BU of 3vce by Molmil
Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
登録日2012-01-04
公開日2012-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
5MQ9
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BU of 5mq9 by Molmil
Crystal structure of Rae1 (YacP) from Bacillus subtilis (W164L mutant)
分子名称: SULFATE ION, Uncharacterized protein YacP
著者Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.174 Å)
主引用文献Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
3VCJ
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BU of 3vcj by Molmil
Thaumatin by LB Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
登録日2012-01-04
公開日2012-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
1EZ0
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BU of 1ez0 by Molmil
CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.
分子名称: ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A.
登録日2000-05-09
公開日2000-05-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000

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