6V0P
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![BU of 6v0p by Molmil](/molmil-images/mine/6v0p) | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | Descriptor: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ... | Authors: | McMillan, B.J, McKinney, D.C. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction. J.Med.Chem., 64, 2021
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3VW9
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![BU of 3vw9 by Molmil](/molmil-images/mine/3vw9) | Human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-08-10 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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6P8H
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![BU of 6p8h by Molmil](/molmil-images/mine/6p8h) | Crystal structure of CDK4 in complex with CyclinD1 and P21 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, 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 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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6S9S
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![BU of 6s9s by Molmil](/molmil-images/mine/6s9s) | Dimerization domain of Xenopus laevis LDB1 in complex with darpin 10 | Descriptor: | Darpin 10, LIM domain-binding protein 1 | Authors: | Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M. | Deposit date: | 2019-07-15 | Release date: | 2019-10-09 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome. Proc.Natl.Acad.Sci.USA, 116, 2019
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5CER
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![BU of 5cer by Molmil](/molmil-images/mine/5cer) | Bd0816 Predatory Endopeptidase from Bdellovibrio bacteriovorus in complex with immunity protein Bd3460 | Descriptor: | 1,2-ETHANEDIOL, Bd0816, Bd3460 | Authors: | Lovering, A.L, Cadby, I.T, Lambert, C, Sockett, R.E. | Deposit date: | 2015-07-07 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus. Nat Commun, 6, 2015
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3W0U
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![BU of 3w0u by Molmil](/molmil-images/mine/3w0u) | human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | 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 (1.7 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate to be published
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7YNF
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![BU of 7ynf by Molmil](/molmil-images/mine/7ynf) | CCA-bound alpha-synuclein fibrils | Descriptor: | Alpha-synuclein, copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate | Authors: | Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D. | Deposit date: | 2022-07-30 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | CCA-bound alpha-synuclein fibrils To Be Published
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6SVL
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![BU of 6svl by Molmil](/molmil-images/mine/6svl) | |
6SXB
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![BU of 6sxb by Molmil](/molmil-images/mine/6sxb) | XPF-ERCC1 Cryo-EM Structure, DNA-Bound form | Descriptor: | DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ... | Authors: | Jones, M.L, Briggs, D.C, McDonald, N.Q. | Deposit date: | 2019-09-25 | Release date: | 2020-03-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation. Nat Commun, 11, 2020
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5BWZ
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![BU of 5bwz by Molmil](/molmil-images/mine/5bwz) | |
6SJA
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![BU of 6sja by Molmil](/molmil-images/mine/6sja) | Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-13 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6 To be published
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6PPG
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![BU of 6ppg by Molmil](/molmil-images/mine/6ppg) | |
6SQK
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![BU of 6sqk by Molmil](/molmil-images/mine/6sqk) | |
6PEB
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![BU of 6peb by Molmil](/molmil-images/mine/6peb) | Crystal Structure of human NAMPT in complex with NVP-LTM976 | Descriptor: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A. | Deposit date: | 2019-06-20 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT). Acs Med.Chem.Lett., 10, 2019
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6P7I
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![BU of 6p7i by Molmil](/molmil-images/mine/6p7i) | Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | Descriptor: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-05 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor J.Med.Chem., 63, 2020
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6SLX
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![BU of 6slx by Molmil](/molmil-images/mine/6slx) | Fragment AZ-010 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, TAZpS89, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | Authors: | Ottmann, C, Wolter, M, Guillory, X, Genet, S, Somsen, B, Leysen, S, Castaldi, P. | Deposit date: | 2019-08-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.800045 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SQ4
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![BU of 6sq4 by Molmil](/molmil-images/mine/6sq4) | Crystal structure of mouse PRMT6 in complex with inhibitor U2 | Descriptor: | 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, IODIDE ION, Protein arginine N-methyltransferase 6 | Authors: | Bonnefond, L, Cavarelli, J. | Deposit date: | 2019-09-03 | Release date: | 2020-09-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of mouse PRMT6 in complex with inhibitors To be published
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6SVK
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![BU of 6svk by Molmil](/molmil-images/mine/6svk) | human Myeloid-derived growth factor (MYDGF) | Descriptor: | MALONATE ION, Myeloid-derived growth factor | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2019-09-18 | Release date: | 2019-11-27 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair. Nat Commun, 10, 2019
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2BJW
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![BU of 2bjw by Molmil](/molmil-images/mine/2bjw) | PspF AAA domain | Descriptor: | PSP OPERON TRANSCRIPTIONAL ACTIVATOR | Authors: | Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X. | Deposit date: | 2005-02-08 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights Into the Activity of Enhancer-Binding Proteins Science, 307, 2005
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6P8G
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![BU of 6p8g by Molmil](/molmil-images/mine/6p8g) | 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 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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5ABW
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![BU of 5abw by Molmil](/molmil-images/mine/5abw) | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | Descriptor: | 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | von Nussbaum, F, Li, V.M, Schaefer, M. | Deposit date: | 2015-08-10 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg. Med. Chem. Lett., 25, 2015
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6P8E
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![BU of 6p8e by Molmil](/molmil-images/mine/6p8e) | 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 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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7BRO
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![BU of 7bro by Molmil](/molmil-images/mine/7bro) | Crystal structure of the 2019-nCoV main protease | Descriptor: | 3C-like proteinase | Authors: | Fu, L.F. | Deposit date: | 2020-03-29 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
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6TCH
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6TLG
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![BU of 6tlg by Molmil](/molmil-images/mine/6tlg) | Ligand-free state of human 14-3-3 sigma isoform | Descriptor: | 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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