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8SGW
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BU of 8sgw by Molmil
Pendrin in complex with chloride
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, CHOLESTEROL, ...
著者Wang, L, Hoang, A, Zhou, M.
登録日2023-04-13
公開日2024-02-07
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
8SHC
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BU of 8shc by Molmil
Pendrin in complex with Niflumic acid
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, ...
著者Wang, L, Hoang, A, Zhou, M.
登録日2023-04-13
公開日2024-02-07
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
8SIE
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BU of 8sie by Molmil
Pendrin in complex with bicarbonate
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ...
著者Wang, L, Hoang, A, Zhou, M.
登録日2023-04-16
公開日2024-02-07
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
2LV4
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BU of 2lv4 by Molmil
ZirS C-terminal Domain
分子名称: Putative outer membrane or exported protein
著者Prehna, G, Li, Y, Stoynov, N, Okon, M, Vukovic, M, Mcintosh, L.P, Foster, L.J, Finlay, B, Strynadka, N.C.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The zinc regulated antivirulence pathway of salmonella is a multiprotein immunoglobulin adhesion system.
J.Biol.Chem., 287, 2012
8SDG
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BU of 8sdg by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.43 heavy chain, Neutralizing antibody CC25.43 light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8SDF
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
4W8X
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Crystal Structure of Cmr1 from Pyrococcus furiosus bound to a nucleotide
分子名称: CRISPR system Cmr subunit Cmr1-1, GUANOSINE-3'-MONOPHOSPHATE, PHOSPHATE ION
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
2YV0
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BU of 2yv0 by Molmil
Structural and Thermodynamic Analyses of E. coli ribonuclease HI Variant with Quintuple Thermostabilizing Mutations
分子名称: Ribonuclease HI
著者Haruki, M, Motegi, T, Tadokoro, T, Koga, Y, Takano, K, Kanaya, S.
登録日2007-04-06
公開日2008-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and thermodynamic analyses of Escherichia coli RNase HI variant with quintuple thermostabilizing mutations.
Febs J., 274, 2007
2YVG
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BU of 2yvg by Molmil
crystal structure of ferredoxin reductase, BPHA4 (blue-semiquinone)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Senda, T, Senda, M.
登録日2007-04-12
公開日2007-10-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Mechanism of the Redox-dependent Interaction between NADH-dependent Ferredoxin Reductase and Rieske-type [2Fe-2S] Ferredoxin
J.Mol.Biol., 373, 2007
4W8Y
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Structure of full length Cmr2 from Pyrococcus furiosus (Manganese bound form)
分子名称: CRISPR system Cmr subunit Cmr2, MANGANESE (II) ION, ZINC ION
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
2YY8
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Crystal structure of archaeal tRNA-methylase for position 56 (aTrm56) from Pyrococcus horikoshii, complexed with S-adenosyl-L-methionine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, UPF0106 protein PH0461
著者Kuratani, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-27
公開日2008-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure and mutational study of a unique SpoU family archaeal methylase that forms 2'-O-methylcytidine at position 56 of tRNA
J.Mol.Biol., 375, 2008
7CIO
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BU of 7cio by Molmil
Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase
分子名称: Cytotoxic T-lymphocyte protein 4, Phosphatidylinositol 3-kinase regulatory subunit alpha
著者Iiyama, M, Numoto, N, Ogawa, S, Kuroda, M, Morii, H, Abe, R, Ito, N, Oda, M.
登録日2020-07-08
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular interactions of the CTLA-4 cytoplasmic region with the phosphoinositide 3-kinase SH2 domains.
Mol.Immunol., 131, 2021
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
2YTZ
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BU of 2ytz by Molmil
Complex structure of Trm1 from Pyrococcus horikoshii with S-adenosyl-L-Homocystein in the orthorhombic crystal-lattice
分子名称: N(2),N(2)-dimethylguanosine tRNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Ihsanawati, Shirouzu, M, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-05
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of tRNA N(2),N(2)-Guanosine Dimethyltransferase Trm1 from Pyrococcus horikoshii
J.Mol.Biol., 383, 2008
2YV8
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BU of 2yv8 by Molmil
Crystal structure of N-terminal domain of human galectin-8
分子名称: Galectin-8 variant
著者Kishishita, S, Nishino, A, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-10
公開日2008-04-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of N-terminal domain of human galectin-8
To be Published
3MKB
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BU of 3mkb by Molmil
Crystal structure determination of Shortfin Mako (Isurus oxyrinchus) hemoglobin at 1.9 Angstrom resolution
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Ramesh, P, Sundaresan, S.S, Sathya Moorthy, P, Balasubramanian, M, Ponnuswamy, M.N.
登録日2010-04-14
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of haemoglobin from pisces species shortfin mako shark (Isurus oxyrinchus) at 1.9 angstrom resolution
J.SYNCHROTRON RADIAT., 20, 2013
2Y7E
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BU of 2y7e by Molmil
Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (tetragonal form)
分子名称: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, FORMIC ACID, MAGNESIUM ION, ...
著者Bellinzoni, M, Alzari, P.M.
登録日2011-01-31
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation.
J.Biol.Chem., 286, 2011
7C38
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Crystal structure of AofleA from Arthrobotrys oligospora in complex with L-fucose
分子名称: AofleA, GLYCEROL, alpha-L-fucopyranose, ...
著者Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
登録日2020-05-11
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
8S5B
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BU of 8s5b by Molmil
Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand
分子名称: Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
著者Snow, A.J.D, Sharma, M, Davies, G.J.
登録日2024-02-23
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
4UUQ
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Crystal structure of human mono-glyceride lipase in complex with SAR127303
分子名称: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
著者Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
登録日2014-07-30
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
2Y7D
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Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (orthorombic form)
分子名称: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, GLYCEROL, ZINC ION
著者Bellinzoni, M, Alzari, P.M.
登録日2011-01-31
公開日2011-06-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation.
J.Biol.Chem., 286, 2011
7C3E
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BU of 7c3e by Molmil
Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora
分子名称: AofleA, GLYCEROL, SULFATE ION
著者Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
登録日2020-05-12
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
4UWL
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWK
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
2YJH
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Thiol Peroxidase from Yersinia Psuedotuberculosis, inactive mutant C61S
分子名称: THIOL PEROXIDASE
著者Beckham, K.S.H, Gabrielsen, M, Wang, D, Roe, A.J.
登録日2011-05-19
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds.
Plos One, 7, 2012

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