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5DXU
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p110delta/p85alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
1ZHO
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The structure of a ribosomal protein L1 in complex with mRNA
分子名称: 50S ribosomal protein L1, POTASSIUM ION, mRNA
著者Nevskaya, N, Tishchenko, S, Volchkov, S, Kljashtorny, V, Nikonova, E, Nikonov, O, Nikulin, A, Kohrer, C, Piendl, W, Zimmermann, R, Stockley, P, Garber, M, Nikonov, S.
登録日2005-04-26
公開日2006-05-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New insights into the interaction of ribosomal protein L1 with RNA.
J.Mol.Biol., 355, 2006
3TCM
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BU of 3tcm by Molmil
Crystal Structure of Alanine Aminotransferase from Hordeum vulgare
分子名称: Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
著者Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G.
登録日2011-08-09
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure.
Arch.Biochem.Biophys., 528, 2012
3TG6
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Crystal Structure of Influenza A Virus nucleoprotein with Ligand
分子名称: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
著者Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R.
登録日2011-08-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
5DXT
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p110alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
5I6S
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Crystal structure of an endoglucanase from Penicillium verruculosum
分子名称: beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, endoglucanase
著者Nemashklaov, V, Vakhrusheva, A, Tishchenko, S, Gabdulkhakov, A, Kravchenko, O, Gusakov, A, Sinitsyn, A.
登録日2016-02-16
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of an endoglucanase from Penicillium verruculosum
To Be Published
4GOY
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BU of 4goy by Molmil
The crystal structure of human fascin 1 K41A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GP3
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The crystal structure of human fascin 1 K358A mutant
分子名称: BROMIDE ION, CHLORIDE ION, Fascin, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GP0
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The crystal structure of human fascin 1 R149A K150A R151A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
5A8H
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cryo-ET subtomogram averaging of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195 VARIANT G52K5, ...
著者Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P.
登録日2015-07-15
公開日2015-08-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
4P2S
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Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Putative propanediol utilization protein PduA, ...
著者Sinha, S, Cheng, S, Sung, Y.W, McNamara, D.E, Sawaya, M.R, Yeates, T.O, Bobik, T.A.
登録日2014-03-03
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment.
J.Mol.Biol., 426, 2014
4GOV
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BU of 4gov by Molmil
The crystal structure of human fascin 1 S39D mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
5A7X
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negative stain EM of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195, ...
著者Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P.
登録日2015-07-10
公開日2015-08-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献Broadly Neutralizing Antibody 8Anc195 Recognizes Closed and Open States of HIV-1 Env.
Cell(Cambridge,Mass.), 162, 2015
7DRI
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BU of 7dri by Molmil
Structure of SspE_CTD_41658
分子名称: DUF1524 domain
著者Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G.
登録日2020-12-28
公開日2022-06-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE.
Nat Commun, 13, 2022
7DRS
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BU of 7drs by Molmil
Structure of SspE_40224
分子名称: SspE protein
著者Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G.
登録日2020-12-29
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE.
Nat Commun, 13, 2022
7DRR
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Structure of SspE-R100A protein
分子名称: SspE protein
著者Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G.
登録日2020-12-29
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE.
Nat Commun, 13, 2022
5T8F
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p110delta/p85alpha with taselisib (GDC-0032)
分子名称: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Moertl, M, Steinbacher, S, Eigenbrot, C.
登録日2016-09-07
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
1YCD
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Crystal structure of yeast FSH1/YHR049W, a member of the serine hydrolase family
分子名称: 2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE, Hypothetical 27.3 kDa protein in AAP1-SMF2 intergenic region
著者Leulliot, N, Graille, M, Coste, F, Quevillon-Cheruel, S, Janin, J, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG)
登録日2004-12-22
公開日2005-05-10
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of yeast YHR049W/FSH1, a member of the serine hydrolase family.
Protein Sci., 14, 2005
1YOJ
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Crystal structure of Src kinase domain
分子名称: proto-oncogene tyrosine-protein kinase SRC
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1YOL
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Crystal structure of Src kinase domain in complex with CGP77675
分子名称: 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL, Proto-oncogene tyrosine-protein kinase Src
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1Z0W
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Crystal Structure of A. fulgidus Lon proteolytic domain at 1.2A resolution
分子名称: CALCIUM ION, Putative protease La homolog type
著者Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A.
登録日2005-03-02
公開日2005-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases
J.Mol.Biol., 351, 2005
2AKA
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Structure of the nucleotide-free myosin II motor domain from Dictyostelium discoideum fused to the GTPase domain of dynamin 1 from Rattus norvegicus
分子名称: Dynamin-1, LINKER, myosin II heavy chain
著者Reubold, T.F, Eschenburg, S, Becker, A, Leonard, M, Schmid, S.L, Vallee, R.B, Kull, F.J, Manstein, D.J.
登録日2005-08-03
公開日2005-08-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the GTPase domain of rat dynamin 1.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1MZP
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Structure of the L1 protuberance in the ribosome
分子名称: 50s ribosomal protein L1P, MAGNESIUM ION, fragment of 23S rRNA
著者Nikulin, A, Eliseikina, I, Tishchenko, S, Nevskaya, N, Davydova, N, Platonova, O, Piendl, W, Selmer, M, Liljas, A, Zimmermann, R, Garber, M, Nikonov, S.
登録日2002-10-09
公開日2003-01-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the L1 protuberance in the ribosome.
Nat.Struct.Biol., 10, 2003
1H2O
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SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W
分子名称: MAJOR ALLERGEN PRU AV 1
著者Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P.
登録日2002-08-12
公開日2003-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
1YOM
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Crystal structure of Src kinase domain in complex with Purvalanol A
分子名称: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Proto-oncogene tyrosine-protein kinase Src
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005

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