8TBL
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![BU of 8tbl by Molmil](/molmil-images/mine/8tbl) | Tricomplex of RMC-7977, KRAS G12D, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBM
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![BU of 8tbm by Molmil](/molmil-images/mine/8tbm) | Tricomplex of RMC-7977, KRAS G12V, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBN
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![BU of 8tbn by Molmil](/molmil-images/mine/8tbn) | Tricomplex of RMC-7977, KRAS G12S, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TNR
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![BU of 8tnr by Molmil](/molmil-images/mine/8tnr) | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2 | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | Deposit date: | 2023-08-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues. Science, 383, 2024
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8TNP
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![BU of 8tnp by Molmil](/molmil-images/mine/8tnp) | Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 | Descriptor: | DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ... | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | Deposit date: | 2023-08-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues. Science, 383, 2024
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8TNQ
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![BU of 8tnq by Molmil](/molmil-images/mine/8tnq) | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | Deposit date: | 2023-08-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues. Science, 383, 2024
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3VI6
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![BU of 3vi6 by Molmil](/molmil-images/mine/3vi6) | Crystal Structure of human ribosomal protein L30e | Descriptor: | 60S ribosomal protein L30, FORMIC ACID | Authors: | Kawaguchi, A, Ose, T, Yao, M, Tanaka, I. | Deposit date: | 2011-09-21 | Release date: | 2011-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystallization and preliminary X-ray structure analysis of human ribosomal protein L30e Acta Crystallogr.,Sect.F, 67, 2011
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8T2D
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![BU of 8t2d by Molmil](/molmil-images/mine/8t2d) | Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-06-05 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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6A3B
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![BU of 6a3b by Molmil](/molmil-images/mine/6a3b) | MVM NES mutant Nm13 in complex with CRM1-Ran-RanBP1 | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | Authors: | Sun, Q, Li, Y. | Deposit date: | 2018-06-15 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor. Int J Nanomedicine, 16, 2021
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3VAP
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![BU of 3vap by Molmil](/molmil-images/mine/3vap) | Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity | Descriptor: | 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium, Aurora kinase A | Authors: | Voss, M.E, Rainka, M.P, Fleming, M, Peterson, L.H, Belanger, D.B, Siddiqui, M.A, Hruza, A, Voigt, J, Basso, A.D, Gray, K. | Deposit date: | 2011-12-29 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity. Bioorg.Med.Chem.Lett., 22, 2012
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6ADE
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![BU of 6ade by Molmil](/molmil-images/mine/6ade) | Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dilawari, R, Singh, P.K, Raje, M, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-31 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution To Be Published
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8T9A
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![BU of 8t9a by Molmil](/molmil-images/mine/8t9a) | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3 | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3 | Authors: | Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y. | Deposit date: | 2023-06-23 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3 To Be Published
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6AC9
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![BU of 6ac9 by Molmil](/molmil-images/mine/6ac9) | Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ngow, Y.S, Sreekanth, R, Yoon, H.S. | Deposit date: | 2018-07-25 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog. Protein Sci., 28, 2019
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8TPV
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![BU of 8tpv by Molmil](/molmil-images/mine/8tpv) | |
8TPY
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![BU of 8tpy by Molmil](/molmil-images/mine/8tpy) | |
6AJV
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![BU of 6ajv by Molmil](/molmil-images/mine/6ajv) | Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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3W16
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![BU of 3w16 by Molmil](/molmil-images/mine/3w16) | |
6AJY
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![BU of 6ajy by Molmil](/molmil-images/mine/6ajy) | Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone | Descriptor: | 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJX
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![BU of 6ajx by Molmil](/molmil-images/mine/6ajx) | Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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8TZX
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![BU of 8tzx by Molmil](/molmil-images/mine/8tzx) | Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1 | Descriptor: | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-28 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction. Science, 385, 2024
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6AFR
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![BU of 6afr by Molmil](/molmil-images/mine/6afr) | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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3W10
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![BU of 3w10 by Molmil](/molmil-images/mine/3w10) | |
8THO
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![BU of 8tho by Molmil](/molmil-images/mine/8tho) | |
6AJZ
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![BU of 6ajz by Molmil](/molmil-images/mine/6ajz) | Joint nentron and X-ray structure of BRD4 in complex with colchicin | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION | Authors: | Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-08-28 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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3W18
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![BU of 3w18 by Molmil](/molmil-images/mine/3w18) | |