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4O6B
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Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
2X4R
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BU of 2x4r by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to Cytomegalovirus (CMV) pp65 epitope
分子名称: 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, GLYCEROL, ...
著者Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
登録日2010-02-02
公開日2010-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
7YGG
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BU of 7ygg by Molmil
Crystal structure of human CD47 in complex with engineered SIRPa.D1(N80A)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte surface antigen CD47, ...
著者Yu, J, Tian, W.
登録日2022-07-11
公開日2022-10-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of Human CD47 in Complex with Engineered SIRP alpha.D1(N80A).
Molecules, 27, 2022
8JRD
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BU of 8jrd by Molmil
Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and coenzyme A
分子名称: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Waki, T, Imaizumi, R, Nakata, S, Yanai, T, Takeshita, K, Sakai, N, Kataoka, K, Yamamoto, M, Nakayama, T, Yamashita, S.
登録日2023-06-16
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural insights into catalytic promiscuity of chalcone synthase from Glycine max (L.) Merr.: Coenzyme A-induced alteration of product specificity.
Biochem.Biophys.Res.Commun., 718, 2024
7SV6
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BU of 7sv6 by Molmil
Crystal structure of SpaA-SLH/G46A/G109A in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAcOMe
分子名称: Surface (S-) layer glycoprotein, methyl 2-acetamido-4-O-{2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranoside
著者Legg, M.S.G, Evans, S.V.
登録日2021-11-18
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The S-layer homology domains of Paenibacillus alvei surface protein SpaA bind to cell wall polysaccharide through the terminal monosaccharide residue.
J.Biol.Chem., 298, 2022
7SV3
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Crystal structure of SpaA-SLH in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAcOMe
分子名称: Surface (S-) layer glycoprotein, methyl 2-acetamido-4-O-{2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranoside
著者Legg, M.S.G, Evans, S.V.
登録日2021-11-18
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The S-layer homology domains of Paenibacillus alvei surface protein SpaA bind to cell wall polysaccharide through the terminal monosaccharide residue.
J.Biol.Chem., 298, 2022
6TZV
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BU of 6tzv by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis
分子名称: 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6
著者Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
登録日2019-08-13
公開日2020-08-19
最終更新日2025-11-12
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis
To Be Published
6U10
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BU of 6u10 by Molmil
Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the inhibitor captopril
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, L-CAPTOPRIL, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-15
公開日2019-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the inhibitor captopril.
To Be Published
6FG3
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BU of 6fg3 by Molmil
Structure of Ryanodine receptor 1 in nanodiscs in the presence of calcium, ATP and ryanodine
分子名称: CALCIUM ION, Ryanodine receptor 1, ZINC ION
著者Willegems, K, Efremov, R.G.
登録日2018-01-09
公開日2018-08-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Influence of Lipid Mimetics on Gating of Ryanodine Receptor.
Structure, 26, 2018
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
分子名称: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
9H8C
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BU of 9h8c by Molmil
Human CDK8/Cyclin-C complex with inhibitor 2-9
分子名称: 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ...
著者Somers, D.O.
登録日2024-10-29
公開日2025-01-22
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
8YBC
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BU of 8ybc by Molmil
Crystal structure of coiled coil domain of Golm1 (Golgi membrane protein 1)
分子名称: Golgi membrane protein 1
著者Xie, X, Bai, W.F, Shi, N.
登録日2024-02-12
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The first structure of human Golm1 coiled coil domain reveals an unexpected tetramer and highlights its structural diversity.
Int.J.Biol.Macromol., 275, 2024
6GFQ
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BU of 6gfq by Molmil
cyanobacterial GAPDH with NAD and CP12 bound
分子名称: CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ...
著者McFarlane, C.R, Murray, J.W.
登録日2018-05-01
公開日2019-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
6BXA
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BU of 6bxa by Molmil
Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound
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Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R.
登録日2017-12-18
公開日2018-05-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
9H8S
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BU of 9h8s by Molmil
Human CDK8/Cyclin-C complex with inhibitor 3-7
分子名称: 1,2-ETHANEDIOL, 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, CHLORIDE ION, ...
著者Somers, D.O.
登録日2024-10-29
公開日2025-01-22
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
7Y5Y
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BU of 7y5y by Molmil
X-ray Structure of Stay-Green (SGR) from Anaerolineae bacterium.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ...
著者Dey, D, Nishijima, M, Kurisu, G, Tanaka, H, Ito, H.
登録日2022-06-18
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and reaction mechanism of a bacterial Mg-dechelatase homolog from the Chloroflexi Anaerolineae.
Protein Sci., 31, 2022
6GI4
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BU of 6gi4 by Molmil
Structure of Lytic Transglycosylase MltE mutant S75A from E.coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
著者Batuecas, M.T, Hermoso, J.A.
登録日2018-05-09
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
8KFU
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BU of 8kfu by Molmil
Crystal structure of ZmMOC1 in complex with a nicked Holliday junction soaked in Mn2+ for 180 seconds
分子名称: 1,2-ETHANEDIOL, DNA (25-MER), DNA (33-MER), ...
著者Zhang, D, Luo, Z, Lin, Z.
登録日2023-08-16
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
分子名称: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
8KFW
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BU of 8kfw by Molmil
Crystal structure of ZmMOC1 K229A in complex with a nicked Holliday junction soaked in Mn2+ for 600 seconds
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (33-MER), ...
著者Zhang, D, Luo, Z, Lin, Z.
登録日2023-08-16
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
6TVB
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BU of 6tvb by Molmil
Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6C18
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FGFR1 kinase complex with inhibitor SN37115
分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION
著者Yosaatmadja, Y, Smaill, J.B, Squire, C.J.
登録日2018-01-04
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
7YWJ
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BU of 7ywj by Molmil
Crystal structure of an engineered TycA variant, TycA pPLA (L313P)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
著者Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D.
登録日2022-02-14
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids.
J.Am.Chem.Soc., 144, 2022
6M8V
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Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
分子名称: FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Khusnutdinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.221 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
To Be Published

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