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7U37
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BU of 7u37 by Molmil
Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC)
分子名称: Ferrous iron transport protein C
著者Brown, J.B, Lee, M.A, Smith, A.T.
登録日2022-02-25
公開日2022-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain.
J.Biol.Inorg.Chem., 27, 2022
8DLA
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BU of 8dla by Molmil
ClpP2 from Chlamydia trachomatis bound by MAS1-12
分子名称: 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one, ATP-dependent Clp protease proteolytic subunit 2, GLYCEROL, ...
著者Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O.
登録日2022-07-07
公開日2023-08-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献The structure of caseinolytic protease subunit ClpP2 reveals a functional model of the caseinolytic protease system from Chlamydia trachomatis.
J.Biol.Chem., 299, 2023
5Y2T
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BU of 5y2t by Molmil
Structure of PPARgamma ligand binding domain - lobeglitazone complex
分子名称: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-27
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
分子名称: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-26
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
分子名称: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-19
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.146 Å)
主引用文献Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
8EPA
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BU of 8epa by Molmil
Structure of interleukin receptor common gamma chain (IL2Rgamma) in complex with two antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, REGN7257 Fab heavy chain, ...
著者Franklin, M.C, Romero Hernandez, A.
登録日2022-10-05
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Blocking common gamma chain cytokine signaling ameliorates T cell-mediated pathogenesis in disease models.
Sci Transl Med, 15, 2023
6I8S
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BU of 6i8s by Molmil
Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1
分子名称: HEAVY CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, LIGHT CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, Plasminogen activator inhibitor 1
著者Vousden, K.A, Lundqvist, T, Popovic, B.
登録日2018-11-21
公開日2019-02-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1.
Sci Rep, 9, 2019
3EOC
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BU of 3eoc by Molmil
Cdk2/CyclinA complexed with a imidazo triazin-2-amine
分子名称: 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2
著者Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R.
登録日2008-09-26
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1.
Bioorg.Med.Chem.Lett., 18, 2008
3ETA
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BU of 3eta by Molmil
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
分子名称: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
著者Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S.
登録日2008-10-07
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
7MXL
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BU of 7mxl by Molmil
Complex of Bet v 1 with the Fab fragments of a three antibody cocktail
分子名称: Major pollen allergen Bet v 1-A, REGN5713 antibody Fab fragment heavy chain, REGN5713 antibody Fab fragment light chain, ...
著者Romero-Hernandez, A, Franklin, M.C.
登録日2021-05-19
公開日2021-07-21
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response.
J.Allergy Clin.Immunol., 149, 2022
7N0U
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BU of 7n0u by Molmil
Complex of recombinant Bet v 1 with Fab fragment of REGN5713
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, REGN5713 Fab fragment heavy chain, REGN5713 Fab fragment light chain, ...
著者Franklin, M.C, Romero Hernandez, A.
登録日2021-05-26
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response.
J.Allergy Clin.Immunol., 149, 2022
7N0V
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BU of 7n0v by Molmil
Complex of recombinant Bet v 1 with Fab fragment of REGN5715
分子名称: Major pollen allergen Bet v 1-A, REGN5715 Fab heavy chain, REGN5715 Fab light chain
著者Franklin, M.C, Romero Hernandez, A.
登録日2021-05-26
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response.
J.Allergy Clin.Immunol., 149, 2022
3EKN
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BU of 3ekn by Molmil
Insulin receptor kinase complexed with an inhibitor
分子名称: 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor
著者Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L.
登録日2008-09-19
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3EKK
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BU of 3ekk by Molmil
Insulin receptor kinase complexed with an inhibitor
分子名称: 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor
著者Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L.
登録日2008-09-19
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3ELJ
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BU of 3elj by Molmil
Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
分子名称: 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8
著者Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J.
登録日2008-09-22
公開日2008-12-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
6X60
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BU of 6x60 by Molmil
ClpP2 from Chlamydia trachomatis with resolved handle loop
分子名称: ATP-dependent Clp protease proteolytic subunit 2
著者Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O.
登録日2020-05-27
公開日2020-06-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献ClpP2 from Chlamydia trachomatis with resolved handle loop
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件を2024-07-10に公開中

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