7MSQ
 
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | 分子名称: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2015-01-08 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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8CHB
 | | Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant | | 分子名称: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | 著者 | Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M. | | 登録日 | 2023-02-07 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
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8QOE
 | | Inward-facing conformation of the ABC transporter BmrA | | 分子名称: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | 著者 | Di Cesare, M, Kaplan, E, Valimehr, S, Hanssen, E, Orelle, C, Jault, J.M. | | 登録日 | 2023-09-28 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
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6QPL
 | | Crystal structure of Spindlin1 in complex with the inhibitor MS31 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-02-14 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
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3PSD
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3PSB
 | | Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors | | 分子名称: | B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate | | 著者 | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-12-01 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3O0P
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6H2Y
 | | human Fab 1E6 bound to fHbp variant 3 from Neisseria meningitidis serogroup B | | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Veggi, D, Bianchi, F, Cozzi, R, Malito, E, Bottomley, M.J. | | 登録日 | 2018-07-17 | | 公開日 | 2019-08-14 | | 最終更新日 | 2020-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Cocrystal structure of meningococcal factor H binding protein variant 3 reveals a new crossprotective epitope recognized by human mAb 1E6.
Faseb J., 33, 2019
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3PRF
 | | Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor | | 分子名称: | 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | 登録日 | 2010-11-29 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PRI
 | | Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | 分子名称: | 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | 登録日 | 2010-11-29 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PPK
 | | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | 分子名称: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | 登録日 | 2010-11-24 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PPJ
 | | Human B-Raf Kinase in Complex with a Furopyridine Inhibitor | | 分子名称: | Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate | | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | 登録日 | 2010-11-24 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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7T5O
 | | VFLIP Spike Trimer with GAR03 | | 分子名称: | GAR03 Fab heavy chain, GAR03 Fab light chain, Spike glycoprotein | | 著者 | Sobti, M, Stewart, A.G, Rouet, R, Langley, D.B. | | 登録日 | 2021-12-12 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
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6GFH
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-04-30 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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7T47
 | | KRAS G12D (GppCp) with MRTX-1133 | | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ... | | 著者 | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | | 登録日 | 2021-12-09 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors
Nature, 2022
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7T72
 | | Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ... | | 著者 | Langley, D.B, Christ, D, Rouet, R. | | 登録日 | 2021-12-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.177 Å) | | 主引用文献 | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
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3OCB
 | | Akt1 kinase domain with pyrrolopyrimidine inhibitor | | 分子名称: | (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1) | | 著者 | Morales, T.H, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-08-09 | | 公開日 | 2010-09-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | 分子名称: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-09-17 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW4
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | 分子名称: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | | 著者 | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-09-17 | | 公開日 | 2010-11-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6FL8
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | | 分子名称: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | 分子名称: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | | 著者 | Yin, J, Wang, W. | | 登録日 | 2013-12-20 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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6FL3
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-22 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.025 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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8AUC
 | | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | | 分子名称: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | | 著者 | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | | 登録日 | 2022-08-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
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