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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)
Descriptor: Ferrous iron transport protein C
Authors:Brown, J.B, Lee, M.A, Smith, A.T.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O.
Deposit date:2022-07-07
Release date:2023-08-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite: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
Descriptor: (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
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-27
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Im, Y.J, Lee, M.
Deposit date:2017-07-26
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite: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
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.135 Å)
Cite: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
Descriptor: 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, ...
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2022-10-05
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: HEAVY CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, LIGHT CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, Plasminogen activator inhibitor 1
Authors:Vousden, K.A, Lundqvist, T, Popovic, B.
Deposit date:2018-11-21
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2008-09-26
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
Authors: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.
Deposit date:2008-10-07
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Major pollen allergen Bet v 1-A, REGN5713 antibody Fab fragment heavy chain, REGN5713 antibody Fab fragment light chain, ...
Authors:Romero-Hernandez, A, Franklin, M.C.
Deposit date:2021-05-19
Release date:2021-07-21
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, REGN5713 Fab fragment heavy chain, REGN5713 Fab fragment light chain, ...
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2021-05-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Major pollen allergen Bet v 1-A, REGN5715 Fab heavy chain, REGN5715 Fab light chain
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2021-05-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.71 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2008-09-19
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: 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
Authors: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.
Deposit date:2008-09-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ATP-dependent Clp protease proteolytic subunit 2
Authors:Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O.
Deposit date:2020-05-27
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:ClpP2 from Chlamydia trachomatis with resolved handle loop
To Be Published

222415

數據於2024-07-10公開中

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