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4ZK5
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BU of 4zk5 by Molmil
MAP4K4 in complex with inhibitor GNE-495
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2015-04-29
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
6GY9
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BU of 6gy9 by Molmil
Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein
分子名称: 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein
著者Ruoff, K, Kilic, T, Hansman, G.S.
登録日2018-06-28
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein.
Biomacromolecules, 19, 2018
1LBM
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BU of 1lbm by Molmil
CRYSTAL STRUCTURE OF PHOSPHORIBOSYL ANTHRANILATE ISOMERASE (PRAI) IN COMPLEX WITH REDUCED 1-(O-CARBOXYPHENYLAMINO)-1-DEOXYRIBULOSE 5-PHOSPHATE (RCDRP)
分子名称: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, PHOSPHORIBOSYL ANTHRANILATE ISOMERASE
著者Hennig, M, Sterner, R, Kirschner, K.
登録日2002-04-04
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Two (betaalpha)(8)-barrel enzymes of histidine and tryptophan biosynthesis have similar reaction mechanisms and common strategies for protecting their labile substrates
Biochemistry, 41, 2002
5HVY
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BU of 5hvy by Molmil
CDK8/CYCC IN COMPLEX WITH COMPOUND 20
分子名称: CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M.
登録日2016-01-28
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7, 2016
4QYE
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BU of 4qye by Molmil
CHK1 kinase domain in complex with diarylpyrazine compound 1
分子名称: 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
著者Appleton, B, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
7ZR2
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BU of 7zr2 by Molmil
Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2
分子名称: Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1
著者Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F.
登録日2022-05-03
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity.
Int.J.Biol.Macromol., 222, 2022
4C1A
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BU of 4c1a by Molmil
Coiled coil domain of the ZfL2-1 ORF1 protein from the zebrafish ZfL2- 1 retrotransposon
分子名称: GLYCEROL, ORF1-ENCODED PROTEIN
著者Schneider, A.M, Weichenrieder, O.
登録日2013-08-11
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and Properties of the Esterase from Non-Ltr Retrotransposons Suggest a Role for Lipids in Retrotransposition.
Nucleic Acids Res., 41, 2013
2YHB
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BU of 2yhb by Molmil
Crystal Structure of the N. crassa QDE-2 AGO MID-PIWI Domains
分子名称: GLYCEROL, POST-TRANSCRIPTIONAL GENE SILENCING PROTEIN QDE-2, SULFATE ION
著者Boland, A, Weichenrieder, O.
登録日2011-04-27
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Crystal Structure of the Mid-Piwi Lobe of a Eukaryotic Argonaute Protein
Proc.Natl.Acad.Sci.USA, 108, 2011
2YKP
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BU of 2ykp by Molmil
Structure of the human LINE-1 ORF1p trimer
分子名称: CHLORIDE ION, LINE-1 ORF1P
著者Khazina, E, Weichenrieder, O.
登録日2011-05-28
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Trimeric Structure and Flexibility of the L1Orf1P Protein in Human L1 Retrotransposition
Nat.Struct.Mol.Biol., 18, 2011
2YKQ
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BU of 2ykq by Molmil
Structure of the human LINE-1 ORF1p trimer
分子名称: CHLORIDE ION, LINE-1 ORF1P
著者Khazina, E, Weichenrieder, O.
登録日2011-05-28
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Trimeric Structure and Flexibility of the L1Orf1P Protein in Human L1 Retrotransposition
Nat.Struct.Mol.Biol., 18, 2011
2YHA
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BU of 2yha by Molmil
Crystal Structure of the N. crassa QDE-2 AGO MID-PIWI Domains
分子名称: GLYCEROL, POST-TRANSCRIPTIONAL GENE SILENCING PROTEIN QDE-2, SULFATE ION
著者Boland, A, Weichenrieder, O.
登録日2011-04-27
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Mid-Piwi Lobe of a Eukaryotic Argonaute Protein
Proc.Natl.Acad.Sci.USA, 108, 2011
4C1B
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BU of 4c1b by Molmil
Esterase domain of the ZfL2-1 ORF1 protein from the zebrafish ZfL2-1 retrotransposon
分子名称: ORF1-ENCODED PROTEIN
著者Schneider, A.M, Weichenrieder, O.
登録日2013-08-11
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure and Properties of the Esterase from Non-Ltr Retrotransposons Suggest a Role for Lipids in Retrotransposition.
Nucleic Acids Res., 41, 2013
2YKO
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BU of 2yko by Molmil
Structure of the human LINE-1 ORF1p trimer
分子名称: CHLORIDE ION, LINE-1 ORF1P
著者Khazina, E, Weichenrieder, O.
登録日2011-05-28
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trimeric Structure and Flexibility of the L1Orf1P Protein in Human L1 Retrotransposition
Nat.Struct.Mol.Biol., 18, 2011
5CEI
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BU of 5cei by Molmil
Crystal structure of CDK8:Cyclin C complex with compound 22
分子名称: 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ...
著者Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T.
登録日2015-07-06
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
4U3Y
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BU of 4u3y by Molmil
Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U41
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BU of 4u41 by Molmil
MAP4K4 Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U3Z
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BU of 4u3z by Molmil
APO MAP4K4 T181E Phosphomimetic Mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U43
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BU of 4u43 by Molmil
MAP4K4 in complex with inhibitor (compound 6)
分子名称: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U40
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BU of 4u40 by Molmil
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U42
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BU of 4u42 by Molmil
MAP4K4 T181E Mutant Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fiorentini, F, Mattevi, A.
登録日2018-09-25
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQD
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BU of 6hqd by Molmil
Cytochrome P450-153 from Pseudomonas sp. 19-rlim
分子名称: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fiorentini, F, Mattevi, A.
登録日2018-09-24
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQW
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Cytochrome P450-153 from Novosphingobium aromaticivorans
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fiorentini, F, Mattevi, A.
登録日2018-09-25
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018

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