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5VYK
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BU of 5vyk by Molmil
Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1
分子名称: Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL
著者Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F.
登録日2017-05-25
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献MEK drives BRAF activation through allosteric control of KSR proteins.
Nature, 554, 2018
5VYP
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BU of 5vyp by Molmil
Crystal structure of the Plant Defensin NsD7 bound to PIP2
分子名称: Defensin NsD7, GLYCEROL, SULFATE ION, ...
著者Jarva, M, Lay, F.T, Hulett, M, Kvansakul, M.
登録日2017-05-25
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the defensin NsD7 in complex with PIP2 reveals that defensin : lipid oligomer topologies are dependent on lipid type.
FEBS Lett., 591, 2017
5VCT
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BU of 5vct by Molmil
Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria
分子名称: CITRIC ACID, UTP--glucose-1-phosphate uridylyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-03-31
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria
TO BE PUBLISHED
5VCV
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BU of 5vcv by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Zhu, J.-Y, Martin, M.P, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
7Q99
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BU of 7q99 by Molmil
MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR
分子名称: 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7Q98
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BU of 7q98 by Molmil
MHC Class I A02 Allele presenting NLSALGIFST
分子名称: 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Sewell, A.K.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
5VD4
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BU of 5vd4 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue
分子名称: 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VDK
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BU of 5vdk by Molmil
Crystal structure of human WEE2 kinase domain in complex with MK1775
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, PHOSPHATE ION, Wee1-like protein kinase 2
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-03
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
7Q9A
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BU of 7q9a by Molmil
MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Human Mel5 T Cell Receptor, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
4V8L
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BU of 4v8l by Molmil
Cryo-EM Structure of the Mycobacterial Fatty Acid Synthase
分子名称: FATTY ACID SYNTHASE, FLAVIN MONONUCLEOTIDE
著者Boehringer, D, Ban, N, Leibundgut, M.
登録日2012-12-06
公開日2014-07-09
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献7.5-A Cryo-Em Structure of the Mycobacterial Fatty Acid Synthase.
J.Mol.Biol., 425, 2013
5VM1
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BU of 5vm1 by Molmil
Crystal structure of a xyloylose kinase from Brucella ovis
分子名称: Xylulokinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-26
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of a xyloylose kinase from
To Be Published
5VOB
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BU of 5vob by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Malito, E, Chandramouli, S.
登録日2017-05-02
公開日2017-07-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
5VPD
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BU of 5vpd by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal
分子名称: CHLORIDE ION, Protein fosB, SODIUM ION, ...
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
4O7M
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BU of 4o7m by Molmil
Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate
分子名称: (2S)-2-hydroxybutanedioic acid, SULFATE ION, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-12-25
公開日2014-03-05
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5VD2
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BU of 5vd2 by Molmil
crystal structure of human WEE1 kinase domain in complex with PF-03814735
分子名称: CHLORIDE ION, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, PHOSPHATE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
5VQX
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BU of 5vqx by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor
分子名称: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Chan, A.H, Anderson, K.S.
登録日2017-05-09
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VRJ
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BU of 5vrj by Molmil
2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium
分子名称: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-10
公開日2018-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VWM
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BU of 5vwm by Molmil
Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-05-22
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor
to be published
5VXD
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BU of 5vxd by Molmil
Crystal structure of Xanthomonas campestris OleA E117A
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
2Y46
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BU of 2y46 by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group
分子名称: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-01-05
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y5N
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BU of 2y5n by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group
分子名称: GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ...
著者Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
登録日2011-01-15
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
分子名称: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
著者Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
登録日2022-01-03
公開日2023-09-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.342 Å)
主引用文献Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
5VK4
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BU of 5vk4 by Molmil
Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoribosylformylglycinamidine cyclo-ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-20
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
To Be Published
5VKL
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BU of 5vkl by Molmil
SPT6 tSH2-RPB1 1476-1500 pS1493
分子名称: DNA-directed RNA polymerase II subunit RPB1, Transcription elongation factor SPT6
著者Sdano, M.A, Whitby, F.G, Hill, C.P.
登録日2017-04-21
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription.
Elife, 6, 2017

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