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1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
分子名称: FE (III) ION, Phenylalanine-4-hydroxylase
著者Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
登録日2004-05-24
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TG2
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BU of 1tg2 by Molmil
Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase
著者Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
登録日2004-05-28
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5APM
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BU of 5apm by Molmil
Multiple capsid-stabilizing protein-RNA and protein-protein interactions revealed in a high-resolution structure of an emerging picornavirus causing neonatal sepsis
分子名称: VP0, VP1, VP3
著者Shakeel, S, Westerhuis, B.M, Domanska, A, Koning, R.I, Matadeen, R, Koster, A.J, Bakker, A.Q, Beaumont, T, Wolthers, K.C, Butcher, S.J.
登録日2015-09-17
公開日2016-07-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Multiple Capsid-Stabilizing Interactions Revealed in a High-Resolution Structure of an Emerging Picornavirus Causing Neonatal Sepsis
Nat.Commun., 7, 2016
5M3L
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BU of 5m3l by Molmil
Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris hemoglobin
分子名称: Extracellular globin-2, Extracellular globin-3, Extracellular globin-4, ...
著者Afanasyev, P, Linnemayr-Seer, C, Ravelli, R.B.G, Matadeen, R, De Carlo, S, Alewijnse, B, Portugal, R.V, Pannu, N.S, Schatz, M, van Heel, M.
登録日2016-10-15
公開日2017-09-13
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.
IUCrJ, 4, 2017
6MYE
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BU of 6mye by Molmil
Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF)
分子名称: FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ...
著者Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
登録日2018-11-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
6MYF
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BU of 6myf by Molmil
Crystal structure of free human Scribble PDZ1 domain
分子名称: Protein scribble homolog
著者Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
登録日2018-11-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
5LF7
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BU of 5lf7 by Molmil
Human 20S proteasome complex with Ixazomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF0
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BU of 5lf0 by Molmil
Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom
分子名称: CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEZ
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BU of 5lez by Molmil
Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom
分子名称: ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF3
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BU of 5lf3 by Molmil
Human 20S proteasome complex with Bortezomib at 2.1 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF1
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BU of 5lf1 by Molmil
Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF4
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BU of 5lf4 by Molmil
Human 20S proteasome complex with Delanzomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF6
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BU of 5lf6 by Molmil
Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom
分子名称: CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEY
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BU of 5ley by Molmil
Human 20S proteasome complex with Oprozomib at 1.9 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEX
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BU of 5lex by Molmil
Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom
分子名称: MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LE5
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BU of 5le5 by Molmil
Native human 20S proteasome at 1.8 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-29
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
1C2X
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BU of 1c2x by Molmil
5S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP AT 7.5 ANGSTROMS RESOLUTION
分子名称: 5S RIBOSOMAL RNA
著者Brimacombe, R, Mueller, F.
登録日1999-07-28
公開日2000-04-10
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
1C2W
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BU of 1c2w by Molmil
23S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP AT 7.5 ANGSTROMS RESOLUTION
分子名称: 23S RIBOSOMAL RNA
著者Brimacombe, R, Mueller, F.
登録日1999-07-28
公開日2000-04-10
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
487D
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BU of 487d by Molmil
SEVEN RIBOSOMAL PROTEINS FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP OF THE LARGE 50S SUBUNIT AT 7.5 ANGSTROMS RESOLUTION
分子名称: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L14, ...
著者Brimacombe, R, Mueller, F.
登録日2000-02-23
公開日2000-04-10
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
6MVQ
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BU of 6mvq by Molmil
HCV NS5B 1b N316 bound to Compound 31
分子名称: (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase
著者Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
2IJN
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BU of 2ijn by Molmil
Isothiazoles as active-site inhibitors of HCV NS5B polymerase
分子名称: (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE, RNA polymerase NS5B
著者Yan, S, Yao, N.
登録日2006-09-29
公開日2006-11-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 17, 2007
2HWH
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BU of 2hwh by Molmil
HCV NS5B allosteric inhibitor complex
分子名称: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68)
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HWI
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BU of 2hwi by Molmil
HCV NS5B allosteric inhibitor complex
分子名称: (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68)
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2I1R
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BU of 2i1r by Molmil
Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
分子名称: (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE, RNA-directed RNA polymerase (NS5B) (P68)
著者Yao, N, Yan, S.
登録日2006-08-14
公開日2006-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.
Bioorg.Med.Chem.Lett., 17, 2007
4KB7
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BU of 4kb7 by Molmil
HCV NS5B GT1B N316Y with CMPD 32
分子名称: 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014

 

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