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PDB: 315 件
4PNK
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BU of 4pnk by Molmil
G protein-coupled receptor kinase 2 in complex with GSK180736A
分子名称: (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Homan, K.T, Larimore, K.M, Elkins, J, Knapp, S, Tesmer, J.J.G.
登録日2014-05-23
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors.
Acs Chem.Biol., 10, 2015
6EIM
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BU of 6eim by Molmil
Human STK10 bound to GW683134A
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
著者Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2017-09-19
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Human STK10 bound to GW683134
To Be Published
5I3O
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BU of 5i3o by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
分子名称: BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION
著者Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-02-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
5I3R
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BU of 5i3r by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
分子名称: BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION
著者Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-02-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
2RF0
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BU of 2rf0 by Molmil
Crystal structure of human mixed lineage kinase MAP3K10 SH3 domain
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 10
著者Ugochukwu, E, Eswaran, J, Elkins, J, Keates, T, Pike, A.C.W, Berridge, G, Savitsky, P, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-09-27
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human Mixed lineage kinase MAP3K10 SH3 domain.
To be Published
2GJS
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BU of 2gjs by Molmil
The crystal structure of human RRAD in complex with GDP
分子名称: GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-03-31
公開日2006-04-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of human RRAD in complex with GDP
To be Published
2REY
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BU of 2rey by Molmil
Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh)
分子名称: Segment polarity protein dishevelled homolog DVL-2
著者Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2007-09-27
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh).
To be Published
2GF0
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BU of 2gf0 by Molmil
The crystal structure of the human DiRas1 GTPase in the inactive GDP bound state
分子名称: GTP-binding protein Di-Ras1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Turnbull, A.P, Papagrigoriou, E, Yang, X, Schoch, G, Elkins, J, Gileadi, O, Salah, E, Bray, J, Wen-Hwa, L, Fedorov, O, Niesen, F.E, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-03-21
公開日2006-04-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of the human DiRas1 GTPase in the inactive GDP bound state
To be Published
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
分子名称: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
著者Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-08-28
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4W9X
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BU of 4w9x by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
分子名称: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib
著者Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-08-28
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
5A14
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BU of 5a14 by Molmil
Human CDK2 with type II inhibitor
分子名称: 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2
著者Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S.
登録日2015-04-27
公開日2015-07-22
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
6EAS
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BU of 6eas by Molmil
Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076
分子名称: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1
著者Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
登録日2018-08-03
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal of pseudokinase DRIK1 with ENMD-2076
To be Published
5AIL
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BU of 5ail by Molmil
Human PARP9 2nd macrodomain
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ...
著者Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2015-02-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Parp9 2Nd Macrodomain
To be Published
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
分子名称: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
著者Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-03-04
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
2G3Y
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BU of 2g3y by Molmil
Crystal structure of the human small GTPase GEM
分子名称: GTP-binding protein GEM, GUANOSINE-5'-DIPHOSPHATE
著者Ugochukwu, E, Soundararajan, M, Elkins, J, Gileadi, C, Schoch, G, Sobott, F, Fedorov, O, Bray, J, Pantic, N, Berridge, G, Burgess, N, Lee, W.H, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-02-21
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human small GTPase GEM
To be Published
2H63
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BU of 2h63 by Molmil
Crystal Structure of Human Biliverdin Reductase A
分子名称: Biliverdin reductase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kavanagh, K, Elkins, J, Ugochukwu, E, Guo, K, Pilka, E, Lukacik, P, Smee, C, Papagrigoriou, E, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-05-30
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Human Biliverdin Reductase A
To be Published
4UN0
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BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-05-22
公開日2014-06-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
7B8W
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BU of 7b8w by Molmil
Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470
分子名称: 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 1
著者Lee, H, Yosaatmadja, Y, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Elkins, J.M.
登録日2020-12-13
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470
To Be Published
3S95
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Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2011-05-31
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
7PSQ
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Crystal structure of S100A4 labeled with NU074381b.
分子名称: (2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Krojer, T, Arruda Bezerra, G, Koekemoer, L, Bountra, C, Von Delft, F, Brennan, P, Fedorov, O.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of S100A4 labeled with NU074381b.
To Be Published
8RIY
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Human NUDT5 with ibrutinib derivative
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase
著者Balikci-Akil, E, Elkins, J.M, Huber, K.V.M.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
5WAX
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BU of 5wax by Molmil
Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
分子名称: GLYCEROL, SAPK10 (serine/threonine-protein kinase 10)
著者Righetto, G.L, Counago, R.M, Halabelian, L, Santiago, A.S, Massirer, K.B, Arruda, P, Gileadi, O, Menossi, M, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-06-27
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
To Be Published
6NPN
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Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
分子名称: (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2019-01-18
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
3PS4
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PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Microtubule-associated serine/threonine-protein kinase 1
著者Ugochukwu, E, Wang, J, Krojer, T, Muniz, J.R.C, Sethi, R, Pike, A.C.W, Roos, A, Salah, E, Cocking, R, Savitsky, P, Doyle, D.A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2010-11-30
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
TO BE PUBLISHED
8PYI
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Human IGF1R with inhibitor 6
分子名称: 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol, Insulin-like growth factor 1 receptor beta chain
著者Dreyer, M.K, Wang, J, Elkins, J.M.
登録日2023-07-25
公開日2023-09-20
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Human IGF1R with inhibitor 6
To Be Published

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件を2024-07-17に公開中

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