7MSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7msq by Molmil](/molmil-images/mine/7msq) | |
4XJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xj0 by Molmil](/molmil-images/mine/4xj0) | Crystal structure of ERK2 in complex with an inhibitor 14K | Descriptor: | 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 | Authors: | Yin, J, Wang, W. | Deposit date: | 2015-01-08 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
|
|
8CHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8chb by Molmil](/molmil-images/mine/8chb) | Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M. | Deposit date: | 2023-02-07 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | 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
|
|
8QOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qoe by Molmil](/molmil-images/mine/8qoe) | Inward-facing conformation of the ABC transporter BmrA | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Di Cesare, M, Kaplan, E, Valimehr, S, Hanssen, E, Orelle, C, Jault, J.M. | Deposit date: | 2023-09-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | 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
|
|
6QPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qpl by Molmil](/molmil-images/mine/6qpl) | Crystal structure of Spindlin1 in complex with the inhibitor MS31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-02-14 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). J.Med.Chem., 62, 2019
|
|
3PSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3psd by Molmil](/molmil-images/mine/3psd) | |
3PSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3psb by Molmil](/molmil-images/mine/3psb) | Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors | Descriptor: | B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate | Authors: | Morales, T, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-12-01 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3O0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o0p by Molmil](/molmil-images/mine/3o0p) | Pilus-related Sortase C of Group B Streptococcus | Descriptor: | Sortase family protein | Authors: | Malito, E, Spraggon, G. | Deposit date: | 2010-07-19 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure analysis and site-directed mutagenesis of defined key residues and motives for pilus-related sortase C1 in group B Streptococcus. Faseb J., 25, 2011
|
|
6H2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h2y by Molmil](/molmil-images/mine/6h2y) | human Fab 1E6 bound to fHbp variant 3 from Neisseria meningitidis serogroup B | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Veggi, D, Bianchi, F, Cozzi, R, Malito, E, Bottomley, M.J. | Deposit date: | 2018-07-17 | Release date: | 2019-08-14 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Cocrystal structure of meningococcal factor H binding protein variant 3 reveals a new crossprotective epitope recognized by human mAb 1E6. Faseb J., 33, 2019
|
|
3PRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3prf by Molmil](/molmil-images/mine/3prf) | Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor | Descriptor: | 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | Deposit date: | 2010-11-29 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3PRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pri by Molmil](/molmil-images/mine/3pri) | Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | Descriptor: | 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 | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | Deposit date: | 2010-11-29 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3PPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ppk by Molmil](/molmil-images/mine/3ppk) | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | Descriptor: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3PPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ppj by Molmil](/molmil-images/mine/3ppj) | Human B-Raf Kinase in Complex with a Furopyridine Inhibitor | Descriptor: | Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
7T5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t5o by Molmil](/molmil-images/mine/7t5o) | VFLIP Spike Trimer with GAR03 | Descriptor: | GAR03 Fab heavy chain, GAR03 Fab light chain, Spike glycoprotein | Authors: | Sobti, M, Stewart, A.G, Rouet, R, Langley, D.B. | Deposit date: | 2021-12-12 | Release date: | 2023-01-25 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. Nat Commun, 14, 2023
|
|
6GFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gfh by Molmil](/molmil-images/mine/6gfh) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-04-30 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
|
|
7T47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t47 by Molmil](/molmil-images/mine/7t47) | KRAS G12D (GppCp) with MRTX-1133 | Descriptor: | 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, ... | Authors: | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | Deposit date: | 2021-12-09 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors Nature, 2022
|
|
7T72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t72 by Molmil](/molmil-images/mine/7t72) | Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ... | Authors: | Langley, D.B, Christ, D, Rouet, R. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.177 Å) | Cite: | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. Nat Commun, 14, 2023
|
|
3OCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ocb by Molmil](/molmil-images/mine/3ocb) | Akt1 kinase domain with pyrrolopyrimidine inhibitor | Descriptor: | (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) | Authors: | Morales, T.H, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-08-09 | Release date: | 2010-09-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of pyrrolopyrimidine inhibitors of Akt. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3OW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ow3 by Molmil](/molmil-images/mine/3ow3) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (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 | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3OW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ow4 by Molmil](/molmil-images/mine/3ow4) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (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 | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
6FL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fl8 by Molmil](/molmil-images/mine/6fl8) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-25 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
|
|
4O6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o6e by Molmil](/molmil-images/mine/4o6e) | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | Descriptor: | 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 | Authors: | Yin, J, Wang, W. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
|
|
6FL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fl3 by Molmil](/molmil-images/mine/6fl3) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-25 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
|
|
6FJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fjk by Molmil](/molmil-images/mine/6fjk) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-22 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.025 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
|
|
8AUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8auc by Molmil](/molmil-images/mine/8auc) | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | Descriptor: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | Authors: | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | Deposit date: | 2022-08-25 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|