Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

4Q7P
DownloadVisualize
BU of 4q7p by Molmil
Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII
分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q87
DownloadVisualize
BU of 4q87 by Molmil
Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
2QPX
DownloadVisualize
BU of 2qpx by Molmil
Crystal structure of putative metal-dependent hydrolase (YP_805737.1) from Lactobacillus casei ATCC 334 at 1.40 A resolution
分子名称: 1,2-ETHANEDIOL, Predicted metal-dependent hydrolase of the TIM-barrel fold, ZINC ION
著者Joint Center for Structural Genomics (JCSG)
登録日2007-07-25
公開日2007-08-07
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of putative metal-dependent hydrolase (YP_805737.1) from Lactobacillus casei ATCC 334 at 1.40 A resolution
To be published
6AF7
DownloadVisualize
BU of 6af7 by Molmil
DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
2QTD
DownloadVisualize
BU of 2qtd by Molmil
Crystal structure of a putative dinitrogenase (mj0327) from methanocaldococcus jannaschii dsm at 1.70 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, Uncharacterized protein MJ0327
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-01
公開日2007-08-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR structure of the protein NP_247299.1: comparison with the crystal structure.
Acta Crystallogr.,Sect.F, 66, 2010
4Q7V
DownloadVisualize
BU of 4q7v by Molmil
Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
5TW3
DownloadVisualize
BU of 5tw3 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a Non-nucleoside Inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Chan, A.H, Anderson, K.S.
登録日2016-11-11
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.853 Å)
主引用文献Structural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection.
Mol. Pharmacol., 91, 2017
4Q83
DownloadVisualize
BU of 4q83 by Molmil
Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8X
DownloadVisualize
BU of 4q8x by Molmil
Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
3CE9
DownloadVisualize
BU of 3ce9 by Molmil
Crystal structure of glycerol dehydrogenase (NP_348253.1) from Clostridium acetobutylicum at 2.37 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycerol dehydrogenase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-28
公開日2008-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of glycerol dehydrogenase (NP_348253.1) from Clostridium acetobutylicum at 2.37 A resolution
To be published
3C8V
DownloadVisualize
BU of 3c8v by Molmil
Crystal structure of putative acetyltransferase (YP_390128.1) from Desulfovibrio desulfuricans G20 at 2.28 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-13
公開日2008-02-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of putative acetyltransferase (YP_390128.1) from Desulfovibrio desulfuricans G20 at 2.28 A resolution
To be published
6AF5
DownloadVisualize
BU of 6af5 by Molmil
DJ-1 after backsoaking
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6TKV
DownloadVisualize
BU of 6tkv by Molmil
Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan
分子名称: 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, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
著者Garcia-Garcia, A, Ceballos-Laita, L, Serna, L, Artschwager, R, Reichardt, N.C, Corzana, F, Hurtado-Guerrero, R.
登録日2019-11-29
公開日2020-01-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase.
Nat Commun, 11, 2020
1K3L
DownloadVisualize
BU of 1k3l by Molmil
Crystal Structure Analysis of S-hexyl-glutathione Complex of Glutathione Transferase at 1.5 Angstroms Resolution
分子名称: GLUTATHIONE S-TRANSFERASE A1, S-HEXYLGLUTATHIONE
著者Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T.
登録日2001-10-03
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site
Proteins, 48, 2002
6AFA
DownloadVisualize
BU of 6afa by Molmil
DJ-1 with isatin (low concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
3FWP
DownloadVisualize
BU of 3fwp by Molmil
X-ray structure of uridine nucleoside phosphorylease from Salmonella typhimurium complexed with phosphate and its inhibitor 2,2'-anhydrouridine at 1.86 A resolution
分子名称: 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil, PHOSPHATE ION, POTASSIUM ION, ...
著者Lashkov, S.A, Mikhailov, A.M, Gabdulkhakov, A.G.
登録日2009-01-19
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The X-ray structure of Salmonella typhimurium uridine nucleoside phosphorylase complexed with 2,2'-anhydrouridine, phosphate and potassium ions at 1.86 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4ZPF
DownloadVisualize
BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
3CRG
DownloadVisualize
BU of 3crg by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala, Glu82Asn and Lys101Ala
分子名称: FORMIC ACID, GLYCEROL, Heparin-binding growth factor 1, ...
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-07
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3P6K
DownloadVisualize
BU of 3p6k by Molmil
Crystal structure of a PLP-dependent aminotransferase (ZP_03625122.1) from Streptococcus suis 89-1591 at 2.07 A resolution
分子名称: 1,2-ETHANEDIOL, Aminotransferase class I and II, SULFATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-10-11
公開日2010-10-27
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of a PLP-dependent aminotransferase (ZP_03625122.1) from Streptococcus suis 89-1591 at 2.07 A resolution
To be published
5TX5
DownloadVisualize
BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
分子名称: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P, Thrope, J.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
2RAS
DownloadVisualize
BU of 2ras by Molmil
Crystal structure of a putative tetr/acrr family transcriptional regulator (saro_0558) from novosphingobium aromaticivorans dsm at 1.80 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-09-17
公開日2007-10-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of predicted transcriptional regulator of TetR/AcrR family (YP_495839.1) from Novosphingobium aromaticivorans DSM 12444 at 1.80 A resolution
To be published
6ALC
DownloadVisualize
BU of 6alc by Molmil
CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
3OOX
DownloadVisualize
BU of 3oox by Molmil
Crystal structure of a putative 2OG-Fe(II) oxygenase family protein (CC_0200) from CAULOBACTER CRESCENTUS at 1.44 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, putative 2OG-Fe(II) oxygenase family protein
著者Joint Center for Structural Genomics (JCSG)
登録日2010-08-31
公開日2010-12-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure of a putative 2OG-Fe(II) oxygenase family protein (CC_0200) from CAULOBACTER CRESCENTUS at 1.44 A resolution
To be published
9BTJ
DownloadVisualize
BU of 9btj by Molmil
Rhesus Fab 6561-a.01 in complex with HIV-1 Ce1176.A3 RnS SOSIP Env
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2024-05-15
公開日2025-06-11
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献Structural and genetic basis of HIV-1 envelope V2 apex recognition by rhesus broadly neutralizing antibodies.
J.Exp.Med., 222, 2025
6AF9
DownloadVisualize
BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018

243083

件を2025-10-15に公開中

PDB statisticsPDBj update infoContact PDBjnumon