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4RJ3
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CDK2 with EGFR inhibitor compound 8
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, ACETATE ION, Cyclin-dependent kinase 2
著者Eigenbrot, C, Yin, J.
登録日2014-10-08
公開日2014-11-26
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ6
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BU of 4rj6 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 4
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ4
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BU of 4rj4 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 6
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ5
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BU of 4rj5 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 5
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ8
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BU of 4rj8 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 8
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ7
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BU of 4rj7 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 1
分子名称: 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4IXP
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BU of 4ixp by Molmil
Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK)
分子名称: Maternal embryonic leucine zipper kinase
著者Cao, L.S, Wang, J, Wang, Z.X, Wu, J.W.
登録日2013-01-27
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Structural basis for the regulation of maternal embryonic leucine zipper kinase.
Plos One, 8, 2013
7JZI
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Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN (PF3D7_1040300) V2 domain
分子名称: LAIR1 ectodomain from antibody MGD21, PLATINUM (II) ION, Rifin
著者Xu, K, Kwong, P.D.
登録日2020-09-02
公開日2021-05-26
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZ4
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BU of 7jz4 by Molmil
Crystal structure of broadly Plasmodium RIFIN reactive LAIR1-inserted antibody MGD21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MGD21 heavy chain, MGD21 light chain, ...
著者Xu, K, Kwong, P.D.
登録日2020-09-01
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZK
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BU of 7jzk by Molmil
Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN (PF3D7_0401300) V2 domain
分子名称: LAIR1 ecotodomain from MGD21 antibody, Rifin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Xu, K, Kwong, P.D.
登録日2020-09-02
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZ1
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BU of 7jz1 by Molmil
Crystal structure of broadly Plasmodium RIFIN reactive LAIR1-inserted antibody MGC34
分子名称: MGC34 heavy chain, MGC34 light chain
著者Xu, K, Kwong, P.D.
登録日2020-09-01
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
6FZB
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BU of 6fzb by Molmil
AadA in complex with ATP, magnesium and streptomycin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kanchugal P, S, Selmer, M.
登録日2018-03-14
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J. Biol. Chem., 293, 2018
4JO1
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BU of 4jo1 by Molmil
Crystal structure of rabbit mAb R56 Fab in complex with V3 crown of HIV-1 JR-FL gp120
分子名称: CALCIUM ION, gp120, monoclonal anti-HIV-1 gp120 V3 antibody R56 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
4JO2
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BU of 4jo2 by Molmil
Crystal structure of rabbit mAb R56 Fab in complex with V3 crown of HIV-1 Consensus A gp120
分子名称: CALCIUM ION, gp120, monoclonal anti-HIV-1 gp120 V3 antibody R56 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
著者Wang, W.H, Jiang, T.
登録日2008-07-07
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
4JO3
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BU of 4jo3 by Molmil
Crystal structure of rabbit mAb R20 Fab in complex with V3 C-terminus of HIV-1 Consensus B gp120
分子名称: SULFATE ION, gp120, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
4JO4
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BU of 4jo4 by Molmil
Crystal structure of rabbit mAb R20 Fab
分子名称: PENTAETHYLENE GLYCOL, SULFATE ION, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
著者Pan, R.M, Kong, X.P.
登録日2013-03-16
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
2QIO
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BU of 2qio by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
分子名称: Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Klein, G.M, Santarsiero, B.D, Mesecar, A.D.
登録日2007-07-05
公開日2008-07-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
6L4R
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BU of 6l4r by Molmil
Crystal structure of Enterovirus D68 RdRp
分子名称: RdRp
著者Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D.
登録日2019-10-21
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 211, 2020
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
分子名称: Forkhead box protein C2, IRE0, MAGNESIUM ION
著者Li, J, Dai, S.Y.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
7KCF
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BU of 7kcf by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512
分子名称: 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ...
著者Padyana, A, Jin, L.
登録日2020-10-05
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
7KDA
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34
分子名称: 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-10-08
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
7KCE
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2
分子名称: 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, S-ADENOSYLMETHIONINE, ...
著者Padyana, A, Jin, L.
登録日2020-10-05
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021

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