5WG6
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![BU of 5wg6 by Molmil](/molmil-images/mine/5wg6) | Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor | Descriptor: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2017-07-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.901 Å) | Cite: | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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5ETA
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![BU of 5eta by Molmil](/molmil-images/mine/5eta) | Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24 | Descriptor: | Mitogen-activated protein kinase 14, Putative transmembrane protein | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | Deposit date: | 2015-11-17 | Release date: | 2016-10-26 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist. Structure, 25, 2017
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5ETI
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![BU of 5eti by Molmil](/molmil-images/mine/5eti) | Structure of dead kinase MAPK14 | Descriptor: | Mitogen-activated protein kinase 14 | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2015-11-17 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation. Science, 381, 2023
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5ETF
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![BU of 5etf by Molmil](/molmil-images/mine/5etf) | Structure of dead kinase MAPK14 with bound the KIM domain of MKK6 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14 | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | Deposit date: | 2015-11-17 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist. Structure, 25, 2017
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5ETC
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![BU of 5etc by Molmil](/molmil-images/mine/5etc) | |
8OVW
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![BU of 8ovw by Molmil](/molmil-images/mine/8ovw) | Cryo-EM structure of CBF1-CCAN bound topologically to centromeric DNA | Descriptor: | C0N3 DNA, Centromere-binding protein 1, Inner kinetochore subunit AME1, ... | Authors: | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D. | Deposit date: | 2023-04-26 | Release date: | 2023-08-09 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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3WTP
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![BU of 3wtp by Molmil](/molmil-images/mine/3wtp) | Crystal Structure of the heterotypic nucleosome containing human CENP-A and H3.3 | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Arimura, Y, Shirayama, K, Horikoshi, N, Fujita, R, Kagawa, W, Fukagawa, T, Almouzni, G, Kurumizaka, H. | Deposit date: | 2014-04-14 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure and stable property of the cancer-associated heterotypic nucleosome containing CENP-A and H3.3 Sci Rep, 4, 2014
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6FI5
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![BU of 6fi5 by Molmil](/molmil-images/mine/6fi5) | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma | Descriptor: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-01-17 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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6P3W
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6F5M
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![BU of 6f5m by Molmil](/molmil-images/mine/6f5m) | Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor | Descriptor: | 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ... | Authors: | Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K. | Deposit date: | 2017-12-01 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor. Acta Crystallogr F Struct Biol Commun, 74, 2018
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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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6FAW
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![BU of 6faw by Molmil](/molmil-images/mine/6faw) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma | Descriptor: | (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2017-12-18 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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5CCM
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![BU of 5ccm by Molmil](/molmil-images/mine/5ccm) | Crystal structure of SMYD3 with SAM and EPZ030456 | Descriptor: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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6FCP
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![BU of 6fcp by Molmil](/molmil-images/mine/6fcp) | Crystal structure of 14-3-3 sigma in complex with Shroom3 P1244L | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C. | Deposit date: | 2017-12-20 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD. J. Am. Soc. Nephrol., 29, 2018
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6FCV
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![BU of 6fcv by Molmil](/molmil-images/mine/6fcv) | Structure of the human DDB1-CSA complex | Descriptor: | DNA damage-binding protein 1, DNA excision repair protein ERCC-8 | Authors: | Meulenbroek, E.M, Pannu, N.S. | Deposit date: | 2017-12-21 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A. Nat Commun, 9, 2018
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6FE8
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![BU of 6fe8 by Molmil](/molmil-images/mine/6fe8) | Cryo-EM structure of the core Centromere Binding Factor 3 complex | Descriptor: | Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1 | Authors: | Zhang, W.J, Lukoynova, N, Miah, S, Vaughan, C.K. | Deposit date: | 2017-12-30 | Release date: | 2018-08-01 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Insights into Centromere DNA Bending Revealed by the Cryo-EM Structure of the Core Centromere Binding Factor 3 with Ndc10. Cell Rep, 24, 2018
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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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5BPU
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![BU of 5bpu by Molmil](/molmil-images/mine/5bpu) | Crystal structure of Norrin, a Wnt signalling activator, Crystal Form I | Descriptor: | (GGL)EEE, (GGL)EEEEEE, Norrin | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | Deposit date: | 2015-05-28 | Release date: | 2015-07-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.4 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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8A8M
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![BU of 8a8m by Molmil](/molmil-images/mine/8a8m) | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | Authors: | Bowler, M.W, Juyoux, P, Pellegrini, E. | Deposit date: | 2022-06-23 | Release date: | 2022-07-13 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation. Science, 381, 2023
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5CCL
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![BU of 5ccl by Molmil](/molmil-images/mine/5ccl) | Crystal structure of SMYD3 with SAM and oxindole compound | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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6PPG
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![BU of 6ppg by Molmil](/molmil-images/mine/6ppg) | |
5BQB
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![BU of 5bqb by Molmil](/molmil-images/mine/5bqb) | Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III | Descriptor: | CHLORIDE ION, CITRIC ACID, Norrin | 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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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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5BRO
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![BU of 5bro by Molmil](/molmil-images/mine/5bro) | Crystal structure of modified HexB (modB) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... | Authors: | Kitakaze, K, Maita, N, Itoh, K. | Deposit date: | 2015-06-01 | Release date: | 2016-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model. J.Clin.Invest., 126, 2016
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8EI3
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![BU of 8ei3 by Molmil](/molmil-images/mine/8ei3) | Crystal structure of VHL in complex with H313, a Helicon Polypeptide | Descriptor: | Elongin-B, Elongin-C, H313, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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