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2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
著者Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
3GNY
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BU of 3gny by Molmil
Crystal structure of human alpha-defensin 1 (HNP1)
分子名称: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
著者Pazgier, M, Lu, W.-Y.
登録日2009-03-18
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Through the looking glass, mechanistic insights from enantiomeric human defensins.
J.Biol.Chem., 284, 2009
3GO0
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BU of 3go0 by Molmil
Crystal structure of D-enantiomer of human alpha-defensin 1 (D-HNP1)
分子名称: CHLORIDE ION, Neutrophil defensin 1
著者Pazgier, M, Lu, W.-Y.
登録日2009-03-18
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Through the looking glass, mechanistic insights from enantiomeric human defensins.
J.Biol.Chem., 284, 2009
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6GBI
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BU of 6gbi by Molmil
Wnt signalling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ...
著者Zhao, Y, Jones, E.Y.
登録日2018-04-14
公開日2018-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
分子名称: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
著者Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
登録日2022-09-22
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
4RXZ
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BU of 4rxz by Molmil
Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide
分子名称: 12-MER PEPTIDE INHIBITOR, Protein Mdm4
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-12-12
公開日2015-07-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of how stress-induced MDMX phosphorylation activates p53.
Oncogene, 35, 2016
3TPX
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BU of 3tpx by Molmil
Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
著者Wu, X, Pazgier, M.
登録日2011-09-08
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
分子名称: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
著者Lee, C.C, Spraggon, G.
登録日2015-04-02
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4WUU
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BU of 4wuu by Molmil
Structure of ESK1 in complex with HLA-A*0201/WT1
分子名称: ARG-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU, Beta-2-microglobulin, ESK1, ...
著者Ataie, N.J, Ng, H.L.
登録日2014-11-03
公開日2015-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Structure of a TCR-Mimic Antibody with Target Predicts Pharmacogenetics.
J.Mol.Biol., 428, 2016
5CUJ
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BU of 5cuj by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUI
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BU of 5cui by Molmil
Crystal structure of Human Defensin-5 R28A mutant.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
1QQL
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BU of 1qql by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
分子名称: FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
5CUM
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BU of 5cum by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
分子名称: CALCIUM ION, CHLORIDE ION, Defensin-5, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
1QQK
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BU of 1qqk by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR)
分子名称: FIBROBLAST GROWTH FACTOR 7
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-25
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86527729 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-26
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.970063 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7B2Z
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BU of 7b2z by Molmil
Notum complex with ARUK3003907
分子名称: DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7ARG
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BU of 7arg by Molmil
Notum in complex with ARUK3002704
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-10-24
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B37
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BU of 7b37 by Molmil
Notum complex with ARUK3003718
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B2Y
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BU of 7b2y by Molmil
Notum complex with ARUK3003910
分子名称: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B3F
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BU of 7b3f by Molmil
Notum S232A in complex with ARUK3003718
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-30
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021

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