4U1V
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![BU of 4u1v by Molmil](/molmil-images/mine/4u1v) | Crystal structure of the E. coli ribosome bound to linopristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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4U27
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![BU of 4u27 by Molmil](/molmil-images/mine/4u27) | Crystal structure of the E. coli ribosome bound to flopristin and linopristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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6RZX
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![BU of 6rzx by Molmil](/molmil-images/mine/6rzx) | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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3EMN
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![BU of 3emn by Molmil](/molmil-images/mine/3emn) | The Crystal Structure of Mouse VDAC1 at 2.3 A resolution | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | Authors: | Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J. | Deposit date: | 2008-09-24 | Release date: | 2008-12-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating Proc.Natl.Acad.Sci.USA, 105, 2008
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2XIN
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![BU of 2xin by Molmil](/molmil-images/mine/2xin) | |
5EI6
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![BU of 5ei6 by Molmil](/molmil-images/mine/5ei6) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EHY
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![BU of 5ehy by Molmil](/molmil-images/mine/5ehy) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EI8
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![BU of 5ei8 by Molmil](/molmil-images/mine/5ei8) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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4UCO
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![BU of 4uco by Molmil](/molmil-images/mine/4uco) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCR
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![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCS
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![BU of 4ucs by Molmil](/molmil-images/mine/4ucs) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4U1G
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![BU of 4u1g by Molmil](/molmil-images/mine/4u1g) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1 | Descriptor: | QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-15 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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2ZNM
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![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
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4U24
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![BU of 4u24 by Molmil](/molmil-images/mine/4u24) | Crystal structure of the E. coli ribosome bound to dalfopristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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4UTQ
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![BU of 4utq by Molmil](/molmil-images/mine/4utq) | A structural model of the active ribosome-bound membrane protein insertase YidC | Descriptor: | ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC | Authors: | Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R. | Deposit date: | 2014-07-22 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc. Elife, 3, 2014
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4YHS
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![BU of 4yhs by Molmil](/molmil-images/mine/4yhs) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Monosaccharide ABC transporter substrate-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-02-27 | Release date: | 2015-03-18 | Last modified: | 2015-10-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS To be published
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4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4V6Q
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![BU of 4v6q by Molmil](/molmil-images/mine/4v6q) | Structural characterization of mRNA-tRNA translocation intermediates (class 5 of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-08 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4UQQ
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![BU of 4uqq by Molmil](/molmil-images/mine/4uqq) | Electron density map of GluK2 desensitized state in complex with 2S,4R-4-methylglutamate | Descriptor: | GLUTAMATE RECEPTOR IONOTROPIC, KAINATE 2, GLUTAMIC ACID | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | Deposit date: | 2014-06-24 | Release date: | 2014-08-13 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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2BE2
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![BU of 2be2 by Molmil](/molmil-images/mine/2be2) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239 | Descriptor: | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E. | Deposit date: | 2005-10-21 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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6TFV
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![BU of 6tfv by Molmil](/molmil-images/mine/6tfv) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG1
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![BU of 6tg1 by Molmil](/molmil-images/mine/6tg1) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFU
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![BU of 6tfu by Molmil](/molmil-images/mine/6tfu) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG0
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![BU of 6tg0 by Molmil](/molmil-images/mine/6tg0) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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2B34
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![BU of 2b34 by Molmil](/molmil-images/mine/2b34) | Structure of MAR1 Ribonuclease from Caenorhabditis elegans | Descriptor: | MAR1 Ribonuclease | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans To be Published
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