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3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
分子名称: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-08-25
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
8SU8
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BU of 8su8 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
分子名称: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-11
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
4P58
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BU of 4p58 by Molmil
Crystal structure of mouse comt bound to an inhibitor
分子名称: 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase
著者Lanier, M.
登録日2014-03-15
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
8T7V
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BU of 8t7v by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)
分子名称: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-06-21
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8T09
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BU of 8t09 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
分子名称: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-31
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
5INH
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BU of 5inh by Molmil
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Klein, M.G, Tjhen, R.
登録日2016-03-07
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
6UBW
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BU of 6ubw by Molmil
MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody
分子名称: CHLORIDE ION, Hepatocyte growth factor receptor, N-(6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
著者Hoffman, I.D, Lawson, J.D.
登録日2019-09-13
公開日2020-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody.
Mol.Cancer Ther., 16, 2017
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
分子名称: Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
分子名称: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
分子名称: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-03
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
分子名称: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
5UAB
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BU of 5uab by Molmil
MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody
分子名称: CHLORIDE ION, GLYCEROL, Hepatocyte growth factor receptor, ...
著者Hoffman, I.D, Lawson, J.D.
登録日2016-12-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody.
Mol. Cancer Ther., 16, 2017
5UAD
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BU of 5uad by Molmil
MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody
分子名称: CHLORIDE ION, Hepatocyte growth factor receptor, N-(6-{[6-(1-methyl-1H-pyrazol-4-yl)-1H-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
著者Hoffman, I.D, Lawson, J.D.
登録日2016-12-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody.
Mol. Cancer Ther., 16, 2017
5USQ
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BU of 5usq by Molmil
ALK-5 kinase inhibitor complex
分子名称: N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine, TGF-beta receptor type-1
著者Dougan, D.R, Lawson, J.D.
登録日2017-02-13
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Design, synthesis and optimization of 7-substituted-pyrazolo[4,3-b]pyridine ALK5 (activin receptor-like kinase 5) inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

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件を2024-09-04に公開中

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