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3V8W
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Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3W94
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Structure of Oryzias latipes enteropeptidase light chain
分子名称: Enteropeptidase-1
著者Hu, S, Xu, J, Wang, H, Guo, Y.J.
登録日2013-03-26
公開日2014-02-19
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure basis for the unique specificity of medaka enteropeptidase light chain.
Protein Cell, 5, 2014
2I7B
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BU of 2i7b by Molmil
Structure of the naturally occuring mutant of human ABO(H) Blood group B glycosyltransferase: GTB/A268T
分子名称: MERCURY (II) ION, alpha 1-3-galactosyltransferase
著者Letts, J.A, Evans, S.V.
登録日2006-08-30
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis for red cell phenotypic changes in newly identified, naturally occurring subgroup mutants of the human blood group B glycosyltransferase.
Transfusion, 47, 2007
3K5D
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BU of 3k5d by Molmil
Crystal Structure of BACE-1 in complex with AHM178
分子名称: Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5G
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BU of 3k5g by Molmil
Human bace-1 complex with bjc060
分子名称: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5F
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BU of 3k5f by Molmil
Human BACE-1 COMPLEX WITH AYH011
分子名称: (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V53
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Crystal structure of human RBM25
分子名称: RNA-binding protein 25
著者Gong, D.S.
登録日2011-12-16
公開日2012-12-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure and functional characterization of the human RBM25 PWI domain and its flanking basic region
Biochem.J., 450, 2013
8KA4
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BU of 8ka4 by Molmil
Arabidopsis AP endonuclease ARP complex with 21bp THF-containing DNA
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-(apurinic or apyrimidinic site) endonuclease, chloroplastic, ...
著者Guo, W.T, Wu, B.X.
登録日2023-08-02
公開日2024-02-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
分子名称: GLYCEROL, Glutathione synthetase, SULFATE ION
著者Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
登録日2022-11-30
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
6VOV
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BU of 6vov by Molmil
Crystal structure of Syk in complex with GS-9876
分子名称: 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
著者Lansdon, E.B.
登録日2020-01-31
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
5XM2
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BU of 5xm2 by Molmil
Human N-terminal domain of FACT complex subunit SPT16
分子名称: DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL
著者Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D.
登録日2017-05-12
公開日2018-05-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
4HZL
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BU of 4hzl by Molmil
Neutralizing antibody mAb#8 in complex with the Epitope II of HCV E2 envelope protein
分子名称: E2 envelop protein, Fab heavy chain, Fab light chain
著者Deng, L, Zhang, P.
登録日2012-11-15
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural evidence for a bifurcated mode of action in the antibody-mediated neutralization of hepatitis C virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
4OTF
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BU of 4otf by Molmil
Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834
分子名称: N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Hymowitz, S.G, Maurer, B.
登録日2014-02-13
公開日2015-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
Bioorg.Med.Chem.Lett., 25, 2015
4Q0X
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BU of 4q0x by Molmil
Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2
分子名称: Envelope glycoprotein E2, mAb 12 heavy chain, mAb 12 light chain
著者Deng, L, Zhang, P.
登録日2014-04-02
公開日2014-07-09
最終更新日2014-08-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discrete conformations of epitope II on the hepatitis C virus E2 protein for antibody-mediated neutralization and nonneutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
8D9O
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BU of 8d9o by Molmil
De Novo Photosynthetic Reaction Center Protein in Apo-State
分子名称: CADMIUM ION, Reaction Center Maquette
著者Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
登録日2022-06-10
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
8D9P
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BU of 8d9p by Molmil
De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations
分子名称: CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
登録日2022-06-10
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
4PV0
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BU of 4pv0 by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor
分子名称: 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK
著者Lansdon, E.B, Mitchell, S.A.
登録日2014-03-14
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
4PUZ
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BU of 4puz by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973
分子名称: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
著者Lansdon, E.B, Mitchell, S.A.
登録日2014-03-14
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
4RX5
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BU of 4rx5 by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 23
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ...
著者Eigenbrot, C, Yu, C.
登録日2014-12-08
公開日2015-12-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.356 Å)
主引用文献Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.
Bioorg.Med.Chem.Lett., 26, 2016
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
分子名称: Pannexin-2
著者Hang, Z, Huawei, Z, Daping, W.
登録日2022-04-21
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023
6D9G
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BU of 6d9g by Molmil
X-ray Structure of the FAB Fragment of 15B8, a Murine Monoclonal Antibody Specific for the Human Serotonin Transporter
分子名称: Antibody heavy chain Fab, Antibody light chain Fab
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-04-29
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6LRB
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BU of 6lrb by Molmil
The A form apo structure of NrS-1 C terminal region-CTR
分子名称: MAGNESIUM ION, Primase
著者Chen, X, Gan, J.
登録日2020-01-15
公開日2020-04-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural studies reveal a ring-shaped architecture of deep-sea vent phage NrS-1 polymerase.
Nucleic Acids Res., 48, 2020
7EW7
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BU of 7ew7 by Molmil
Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW1
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Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021

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