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2HY0
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BU of 2hy0 by Molmil
crystal structure of chek1 in complex with inhibitor 22
分子名称: 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1
著者Yan, Y.
登録日2006-08-04
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-06
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XPW
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BU of 7xpw by Molmil
Structure of OhTRP14
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-05
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XDD
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BU of 7xdd by Molmil
Cryo-EM structure of EDS1 and PAD4
分子名称: Lipase-like PAD4, Protein EDS1
著者Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J.
登録日2022-03-26
公開日2022-07-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
8GDV
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BU of 8gdv by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Briganti, L, Schope, L, Kvaratskhelia, M.
登録日2023-03-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
To Be Published
2MVW
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BU of 2mvw by Molmil
Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
分子名称: Protein PML, ZINC ION
著者Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
登録日2014-10-17
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
6LKY
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BU of 6lky by Molmil
Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
分子名称: ACETATE ION, ACETYL GROUP, CITRIC ACID, ...
著者Huang, S, Wang, P, Zhu, G.P.
登録日2019-12-21
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
To Be Published
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
分子名称: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
著者Lee, C.C, Spraggon, G.
登録日2020-01-09
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
分子名称: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Lee, C.C, Spraggon, G.
登録日2021-08-17
公開日2022-01-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5LB7
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BU of 5lb7 by Molmil
Complex structure between p60N/p80C katanin and a peptide derived from ASPM
分子名称: Abnormal spindle-like microcephaly-associated protein homolog, Katanin p60 ATPase-containing subunit A1, Katanin p80 WD40 repeat-containing subunit B1
著者Rezabkova, L, Capitani, G, Kammerer, R.A, Steinmetz, M.O.
登録日2016-06-15
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Microtubule minus-end regulation at spindle poles by an ASPM-katanin complex.
Nat. Cell Biol., 19, 2017
5LZN
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BU of 5lzn by Molmil
-TIP microtubule-binding domain
分子名称: Calmodulin-regulated spectrin-associated protein 3
著者Stangier, M.M, Steinmetz, M.O.
登録日2016-09-30
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
5OW5
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BU of 5ow5 by Molmil
p60p80-CAMSAP complex
分子名称: 1,2-ETHANEDIOL, Calmodulin-regulated spectrin-associated protein, DI(HYDROXYETHYL)ETHER, ...
著者Rezabkova, L, Capitani, G, Prota, A.E, Kammerer, R.A, Steinmetz, M.O.
登録日2017-08-30
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Formation of the Microtubule Minus-End-Regulating CAMSAP-Katanin Complex.
Structure, 26, 2018
3LCT
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BU of 3lct by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALK tyrosine kinase receptor, GLYCEROL
著者Lee, C.C.
登録日2010-01-11
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
著者Lee, C.C.
登録日2010-01-11
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3L9P
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BU of 3l9p by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
分子名称: Anaplastic lymphoma kinase, GLYCEROL
著者Lee, C.
登録日2010-01-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
分子名称: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
著者Lee, C.C, Spraggon, G.
登録日2013-09-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
3ELP
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BU of 3elp by Molmil
Structure of cystationine gamma lyase
分子名称: Cystathionine gamma-lyase
著者Sun, Q, Sivaraman, J.
登録日2008-09-23
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
分子名称: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
著者Read, J.A, Green, I, Pollard, H, Howard, T.
登録日2013-09-17
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C62
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BU of 4c62 by Molmil
Inhibitors of Jak2 Kinase domain
分子名称: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
著者Read, J, Green, I, Pollard, H, Howard, T.
登録日2013-09-17
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
1D8V
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BU of 1d8v by Molmil
THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30.
分子名称: ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30
著者Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J.
登録日1999-10-26
公開日1999-11-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions.
Cell(Cambridge,Mass.), 99, 1999
3KTZ
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BU of 3ktz by Molmil
Structure of GAP31
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein gelonin
著者Kong, X.-P.
登録日2009-11-26
公開日2010-01-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
著者Kong, X.-P.
登録日2009-11-26
公開日2010-01-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
6PMI
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BU of 6pmi by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 1
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Shi, W.
登録日2019-07-02
公開日2020-05-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
2IHK
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BU of 2ihk by Molmil
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F(equatorial)-Neu5Ac bound
分子名称: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
著者Fisher, A.J, Ni, L.
登録日2006-09-26
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007

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