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3ACJ
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BU of 3acj by Molmil
Crystal structure of imidazo pyrimidine derivative bound to the kinase domain of human LCK, (Auto-phosphorylated on TYR394)
分子名称: 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2010-01-05
公開日2010-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
2ZTH
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BU of 2zth by Molmil
Crystal structure of holo form of rat catechol-o-methyltransferase
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYLMETHIONINE
著者Tsuji, E.
登録日2008-10-01
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the Apo and Holo form of rat catechol-O-methyltransferase
J.Struct.Biol., 165, 2009
2ZLB
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BU of 2zlb by Molmil
Crystal structure of APO form of rat catechol-O-methyltransferase
分子名称: Catechol O-methyltransferase, SULFATE ION
著者Tsuji, E.
登録日2008-04-04
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the Apo and Holo form of rat catechol-O-methyltransferase
J.Struct.Biol., 165, 2009
3ACK
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BU of 3ack by Molmil
Crystal structure of Pyrrolo pyrazine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: 6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2010-01-05
公開日2010-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AD4
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BU of 3ad4 by Molmil
Crystal Structure of Methoxy Benzofuran Derivative bound to the Kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
著者Tsuji, E.
登録日2010-01-14
公開日2011-01-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
1YNR
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BU of 1ynr by Molmil
Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ...
著者Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M.
登録日2005-01-25
公開日2005-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus
J.Biol.Chem., 280, 2005
4WX1
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BU of 4wx1 by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R.
登録日2014-11-13
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
5GUH
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BU of 5guh by Molmil
Crystal structure of silkworm PIWI-clade Argonaute Siwi bound to piRNA
分子名称: MAGNESIUM ION, PIWI, RNA (28-MER)
著者Matsumoto, N, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2016-08-29
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Silkworm PIWI-Clade Argonaute Siwi Bound to piRNA
Cell, 167, 2016
7VWF
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BU of 7vwf by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204
分子名称: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Miyachi, H.
登録日2021-11-10
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWG
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BU of 7vwg by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38
分子名称: (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Miyachi, H.
登録日2021-11-10
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWH
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BU of 7vwh by Molmil
human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39
分子名称: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Miyachi, H.
登録日2021-11-10
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWE
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BU of 7vwe by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122
分子名称: 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Miyachi, H.
登録日2021-11-10
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
1WP4
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BU of 1wp4 by Molmil
Structure of TT368 protein from Thermus Thermophilus HB8
分子名称: 3-hydroxyisobutyrate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-08-30
公開日2005-08-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Novel NADP-dependent 3-Hydroxyisobutyrate Dehydrogenase from Thermus thermophilus HB8
J.Mol.Biol., 352, 2005
1ZAG
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BU of 1zag by Molmil
HUMAN ZINC-ALPHA-2-GLYCOPROTEIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Chirino, A.J, Sanchez, L.M, Bjorkman, P.J.
登録日1999-02-02
公開日1999-03-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human ZAG, a fat-depleting factor related to MHC molecules.
Science, 283, 1999
2DCQ
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BU of 2dcq by Molmil
Fully automated NMR structure determination of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thaliana
分子名称: Putative protein At4g01050
著者Lopez-Mendez, B, Guntert, P.
登録日2006-01-12
公開日2006-10-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Automated protein structure determination from NMR spectra
J.AM.CHEM.SOC., 128, 2006
6ITZ
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BU of 6itz by Molmil
Peroxiredoxin from Thermococcus kodakaraensis
分子名称: Peroxiredoxin
著者Nakamura, T, Himiyama, T.
登録日2018-11-27
公開日2019-03-06
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Distinct molecular assembly of homologous peroxiredoxins from Pyrococcus horikoshii and Thermococcus kodakaraensis.
J.Biochem., 166, 2019
6IU1
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BU of 6iu1 by Molmil
Peroxiredoxin from Pyrococcus horikoshii 0Cys mutant)
分子名称: Peroxiredoxin
著者Nakamura, T, Himiyama, T.
登録日2018-11-27
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Distinct molecular assembly of homologous peroxiredoxins from Pyrococcus horikoshii and Thermococcus kodakaraensis.
J.Biochem., 166, 2019
2RSO
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BU of 2rso by Molmil
Solution structure of the chromodomain of Swi6
分子名称: Chromatin-associated protein swi6
著者Shimojo, H, Nishimura, Y.
登録日2012-04-18
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing
Mol.Cell, 47, 2012
6IU0
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BU of 6iu0 by Molmil
Peroxiredoxin from Thermococcus kodakaraensis (0Cys mutant)
分子名称: Peroxiredoxin
著者Nakamura, T, Himiyama, T.
登録日2018-11-27
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Distinct molecular assembly of homologous peroxiredoxins from Pyrococcus horikoshii and Thermococcus kodakaraensis.
J.Biochem., 166, 2019
2QR0
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BU of 2qr0 by Molmil
Structure of VEGF complexed to a Fab containing TYR and SER in the CDRs
分子名称: Fab-Fragment Heavy Chain, Fab-Fragment Light Chain, Vascular endothelial growth factor A
著者Wiesmann, C.
登録日2007-07-27
公開日2007-08-14
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献High-throughput generation of synthetic antibodies from highly functional minimalist phage-displayed libraries
J.Mol.Biol., 373, 2007
3VYE
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BU of 3vye by Molmil
Human renin in complex with inhibitor 7
分子名称: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Matsui, Y, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VSX
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BU of 3vsx by Molmil
Human renin in complex with compound 18
分子名称: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-05-11
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VYD
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BU of 3vyd by Molmil
Human renin in complex with inhibitor 6
分子名称: (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VSW
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BU of 3vsw by Molmil
Human renin in complex with compound 8
分子名称: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-05-11
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VYF
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BU of 3vyf by Molmil
Human renin in complex with inhibitor 9
分子名称: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012

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