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4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
4GAF
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BU of 4gaf by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ...
著者Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
登録日2012-07-25
公開日2013-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NWF
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BU of 4nwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
3SVL
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BU of 3svl by Molmil
Structural basis of the improvement of ChrR - a multi-purpose enzyme
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, protein yieF
著者Poulain, S, Eswaramoorthy, S, Hienerwadel, R, Bremond, N, Sylvester, M.D, Zhang, Y.B, Van Der Lelie, D, Berthomieu, C, Matin, A.C.
登録日2011-07-12
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of ChrR-A Quinone Reductase with the Capacity to Reduce Chromate.
Plos One, 7, 2012
4PNS
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BU of 4pns by Molmil
Crystal Structure of human Tankyrase 2 in complex with INH2BP.
分子名称: 6-amino-5-iodo-2H-chromen-2-one, GLYCEROL, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNN
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BU of 4pnn by Molmil
Crystal Structure of human Tankyrase 2 in complex with 4HQN.
分子名称: Tankyrase-2, ZINC ION, quinazolin-4(1H)-one
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PML
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BU of 4pml by Molmil
Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide.
分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-22
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNL
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BU of 4pnl by Molmil
Crystal structure of TNKS-2 in complex with DR2313.
分子名称: 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-23
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4NWG
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BU of 4nwg by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
4PNM
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BU of 4pnm by Molmil
Crystal Structure of human Tankyrase 2 in complex with Nu1025.
分子名称: 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-23
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNQ
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BU of 4pnq by Molmil
Crystal Structure of human Tankyrase 2 in complex with 5AIQ.
分子名称: 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNR
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BU of 4pnr by Molmil
Crystal Structure of human Tankyrase 2 in complex with TIQ-A.
分子名称: 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNT
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BU of 4pnt by Molmil
Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.
分子名称: 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7ATH
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BU of 7ath by Molmil
Crystal structure of UipA
分子名称: UipA, ZINC ION
著者Bremond, N, Gallois, N, Legrand, P, Chapon, V, Arnoux, P.
登録日2020-10-30
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Discovery and characterization of UipA, a uranium- and iron-binding PepSY protein involved in uranium tolerance by soil bacteria.
Isme J, 16, 2022
7ATK
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BU of 7atk by Molmil
Crystal structure of UipA in complex with Uranium
分子名称: URANIUM ATOM, UipA, ZINC ION
著者Bremond, N, Gallois, N, Legrand, P, Chapon, V, Arnoux, P.
登録日2020-10-30
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.855 Å)
主引用文献Discovery and characterization of UipA, a uranium- and iron-binding PepSY protein involved in uranium tolerance by soil bacteria.
Isme J, 16, 2022
5VO4
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BU of 5vo4 by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
分子名称: 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile, Androgen receptor
著者Parris, K, Unwalla, R.
登録日2017-05-02
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.
J. Med. Chem., 60, 2017
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
著者Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
6THK
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BU of 6thk by Molmil
Structural mechanism of pyocin S5 import into Pseudomonas aeruginosa
分子名称: GLYCEROL, Pyocin S5, ZINC ION
著者Behrens, H.M, Kleanthous, C, Lowe, E.D.
登録日2019-11-20
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pyocin S5 Import into Pseudomonas aeruginosa Reveals a Generic Mode of Bacteriocin Transport.
Mbio, 11, 2020

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