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7X3M
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
3FY8
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Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101
分子名称: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C, Dale, G.E.
登録日2009-01-22
公開日2009-08-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
2PRI
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BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B
分子名称: 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R.
登録日1998-12-11
公開日1998-12-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies.
J.Mol.Biol., 254, 1995
7EDM
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Crystal structure of the eukaryotic ribosomal decoding site in complex with G418 and Hg(II)
分子名称: GENETICIN, MERCURY (II) ION, RNA (5'-R(P*UP*GP*CP*GP*UP*CP*GP*CP*GP*UP*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Suzuki, C.
登録日2021-03-16
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of the eukaryotic ribosomal decoding site in complex with G418 and Hg(II)
To Be Published
7EDN
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Crystal structure of the eukaryotic decoding site in complex with Ag(I)
分子名称: CALCIUM ION, RNA (5'-R(P*UP*GP*CP*GP*UP*CP*GP*CP*GP*UP*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'), SILVER ION
著者Kondo, J, Suzuki, C.
登録日2021-03-16
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the eukaryotic decoding site in complex with Ag(I)
To Be Published
3Q2M
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Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex
分子名称: N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, NICKEL (II) ION, Spectinomycin phosphotransferase
著者Berghuis, A.M, Fong, D.H, Xiong, B, Hwang, J.
登録日2010-12-20
公開日2011-05-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor.
Plos One, 6, 2011
8V0R
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SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.5)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.5)
To Be Published
8V0N
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 3 (S-RRAR-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 3 (S-RRAR-Omicron-XBB.1.16)
To Be Published
8V0L
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 1 (S-RRAR-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 1 (S-RRAR-Omicron-XBB.1.16)
To Be Published
8V0U
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SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 4 (S-GSAS-Omicron-XBB.1.5)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 4 (S-GSAS-Omicron-XBB.1.5)
To Be Published
8V0S
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SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.5)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.5)
To Be Published
8V0Q
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 3 (S-GSAS-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 3 (S-GSAS-Omicron-XBB.1.16)
To Be Published
8V0P
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.16)
To Be Published
8V0V
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SARS-CoV-2 Omicron-EG.5 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-EG.5)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SARS-CoV-2 Omicron-EG.5 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-EG.5)
To Be Published
8V0W
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SARS-CoV-2 Omicron-EG.5 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-EG.5)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 Omicron-EG.5 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-EG.5)
To Be Published
8V0O
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-11-17
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.16)
To Be Published
6HJD
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Cholera toxin classical B-pentamer in complex with Lewis-x
分子名称: BICINE, CALCIUM ION, Cholera toxin B subunit, ...
著者Krengel, U, Heim, J.B.
登録日2018-09-03
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
4RMO
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Crystal Structure of the CptIN Type III Toxin-Antitoxin System from Eubacterium rectale
分子名称: CALCIUM ION, CptN Toxin, RNA (45-MER)
著者Rao, F, Voss, J.E, Short, F.L, Luisi, B.F.
登録日2014-10-21
公開日2015-09-30
最終更新日2015-11-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-evolution of quaternary organization and novel RNA tertiary interactions revealed in the crystal structure of a bacterial protein-RNA toxin-antitoxin system.
Nucleic Acids Res., 43, 2015
8UK1
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer consensus (S-RRAR-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-10-11
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer consensus (S-RRAR-Omicron-XBB.1.16)
To Be Published
8UIR
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SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.16)
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, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-10-10
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.16)
To Be Published
1GQE
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Polypeptide Chain Release Factor 2 (RF2) from Escherichia coli
分子名称: RELEASE FACTOR 2
著者Vestergaard, B, Kjeldgaard, M.
登録日2001-11-22
公開日2002-04-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Bacterial Polypeptide Release Factor Rf2 is Structurally Distinct from Eukaryotic Erf1.
Mol.Cell, 8, 2001
8V9I
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1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2023-12-08
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
3FYW
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Staph. aureus DHFR complexed with NADPH and AR-101
分子名称: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C.
登録日2009-01-23
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
3FY9
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Staph. aureus DHFR F98Y complexed with AR-102
分子名称: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C.
登録日2009-01-22
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
6UFR
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Structure of recombinantly assembled E46K alpha-synuclein fibrils
分子名称: Alpha-synuclein
著者Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L.
登録日2019-09-24
公開日2020-02-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020

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