6RQC
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![BU of 6rqc by Molmil](/molmil-images/mine/6rqc) | Cryo-EM structure of an MCM loading intermediate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (88-MER), ... | Authors: | Miller, T.C.R, Locke, J, Costa, A. | Deposit date: | 2019-05-15 | Release date: | 2019-11-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mechanism of head-to-head MCM double-hexamer formation revealed by cryo-EM. Nature, 575, 2019
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6X93
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![BU of 6x93 by Molmil](/molmil-images/mine/6x93) | Interleukin-10 signaling complex with IL-10RA and IL-10RB | Descriptor: | Interleukin-10, Interleukin-10 receptor subunit alpha, Interleukin-10 receptor subunit beta | Authors: | Saxton, R.A, Tsutsumi, N, Gati, C, Garcia, K.C. | Deposit date: | 2020-06-02 | Release date: | 2021-03-17 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure-based decoupling of the pro- and anti-inflammatory functions of interleukin-10. Science, 371, 2021
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6RJL
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![BU of 6rjl by Molmil](/molmil-images/mine/6rjl) | Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-27 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6UGH
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7PZC
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![BU of 7pzc by Molmil](/molmil-images/mine/7pzc) | Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3 | Descriptor: | 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | Authors: | Hochheiser, I.V, Pilsl, M, Hagelueken, G, Engel, C, Geyer, M. | Deposit date: | 2021-10-12 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3. Nature, 604, 2022
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6RHC
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![BU of 6rhc by Molmil](/molmil-images/mine/6rhc) | Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-19 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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3W0T
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![BU of 3w0t by Molmil](/molmil-images/mine/3w0t) | Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate To be Published
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6RSR
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![BU of 6rsr by Molmil](/molmil-images/mine/6rsr) | TBK1 in complex with compound 2 | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RIJ
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![BU of 6rij by Molmil](/molmil-images/mine/6rij) | |
6V0N
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![BU of 6v0n by Molmil](/molmil-images/mine/6v0n) | PRMT5 bound to PBM peptide from Riok1 | Descriptor: | Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ... | Authors: | McMIllan, B.J, Raymond, D.D. | Deposit date: | 2019-11-19 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021
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7POZ
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6UXY
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![BU of 6uxy by Molmil](/molmil-images/mine/6uxy) | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | Descriptor: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Palte, R.L, Schneider, S.E. | Deposit date: | 2019-11-08 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
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5XY9
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![BU of 5xy9 by Molmil](/molmil-images/mine/5xy9) | Structure of the MST4 and 14-3-3 complex | Descriptor: | 14-3-3 protein zeta/delta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, ... | Authors: | Shi, Z.B, Zhou, Z.C. | Deposit date: | 2017-07-06 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structure of the MST4 and 14-3-3 complex To Be Published
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6RVD
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![BU of 6rvd by Molmil](/molmil-images/mine/6rvd) | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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7E4K
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7Z2M
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![BU of 7z2m by Molmil](/molmil-images/mine/7z2m) | |
2ZA0
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![BU of 2za0 by Molmil](/molmil-images/mine/2za0) | Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin | Descriptor: | Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | Authors: | Okumura, H, Kawatani, M, Osada, H. | Deposit date: | 2007-09-26 | Release date: | 2008-08-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I Proc.Natl.Acad.Sci.Usa, 105, 2008
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7PSX
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![BU of 7psx by Molmil](/molmil-images/mine/7psx) | Structure of HOXB13 bound to hydroxymethylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | Deposit date: | 2021-09-24 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of HOXB13 bound to hydroxymethylated DNA To Be Published
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6P3W
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5BQE
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![BU of 5bqe by Molmil](/molmil-images/mine/5bqe) | Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 -Methylated form | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | Deposit date: | 2015-05-28 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan. Elife, 4, 2015
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6P8F
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![BU of 6p8f by Molmil](/molmil-images/mine/6p8f) | Crystal structure of CDK4 in complex with CyclinD1 and P27 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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5BTV
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![BU of 5btv by Molmil](/molmil-images/mine/5btv) | Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS324 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ottmann, C, Schumacher, B, Bartel, M. | Deposit date: | 2015-06-03 | Release date: | 2016-07-20 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau. Faseb J., 29, 2015
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7Q3O
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![BU of 7q3o by Molmil](/molmil-images/mine/7q3o) | |