8C1K
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![BU of 8c1k by Molmil](/molmil-images/mine/8c1k) | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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1S3S
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![BU of 1s3s by Molmil](/molmil-images/mine/1s3s) | Crystal structure of AAA ATPase p97/VCP ND1 in complex with p47 C | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase (TER ATPase) (15S Mg(2+)- ATPase p97 subunit) (Valosin containing protein) (VCP) [Contains: Valosin], p47 protein | Authors: | Dreveny, I, Kondo, H, Uchiyama, K, Shaw, A, Zhang, X, Freemont, P.S. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of the interaction between the AAA ATPase p97/VCP and its adaptor protein p47. Embo J., 23, 2004
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8C1G
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![BU of 8c1g by Molmil](/molmil-images/mine/8c1g) | Aurora A kinase in complex with TPX2-inhibitor 7 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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3NR5
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![BU of 3nr5 by Molmil](/molmil-images/mine/3nr5) | Crystal structure of human Maf1 | Descriptor: | Repressor of RNA polymerase III transcription MAF1 homolog | Authors: | Ringel, R, Vannini, A, Kusser, A.G, Berninghausen, O, Kassavetis, G.A, Cramer, P. | Deposit date: | 2010-06-30 | Release date: | 2010-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular Basis of RNA Polymerase III Transcription Repression by Maf1 Cell(Cambridge,Mass.), 143, 2010
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1SJQ
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![BU of 1sjq by Molmil](/molmil-images/mine/1sjq) | NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1) | Descriptor: | Polypyrimidine tract-binding protein 1 | Authors: | Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J. | Deposit date: | 2004-03-04 | Release date: | 2004-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and RNA Interactions of the N-Terminal RRM Domains of PTB Structure, 12, 2004
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3P5O
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![BU of 3p5o by Molmil](/molmil-images/mine/3p5o) | Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2010-10-09 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Suppression of inflammation by a synthetic histone mimic Nature, 468, 2010
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3P53
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![BU of 3p53 by Molmil](/molmil-images/mine/3p53) | Structure of fascin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DODECAETHYLENE GLYCOL, Fascin, ... | Authors: | Jansen, S, Dominguez, R. | Deposit date: | 2010-10-07 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of actin filament bundling by fascin. J.Biol.Chem., 286, 2011
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8D3F
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![BU of 8d3f by Molmil](/molmil-images/mine/8d3f) | Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST | Descriptor: | Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST | Authors: | Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D. | Deposit date: | 2022-06-01 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment. Nat Commun, 13, 2022
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3P9J
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![BU of 3p9j by Molmil](/molmil-images/mine/3p9j) | Aurora A kinase domain with phthalazinone pyrazole inhibitor | Descriptor: | 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6 | Authors: | Kairies, N.A, Oliveira, T, Engh, R.A. | Deposit date: | 2010-10-17 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase. J.Med.Chem., 54, 2011
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8D7U
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![BU of 8d7u by Molmil](/molmil-images/mine/8d7u) | |
8D81
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![BU of 8d81 by Molmil](/molmil-images/mine/8d81) | Cereblon~DDB1 bound to Pomalidomide | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | Authors: | Watson, E.R, Lander, G.C. | Deposit date: | 2022-06-07 | Release date: | 2022-07-20 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular glue CELMoD compounds are regulators of cereblon conformation. Science, 378, 2022
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8D7Y
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![BU of 8d7y by Molmil](/molmil-images/mine/8d7y) | |
3OOY
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![BU of 3ooy by Molmil](/molmil-images/mine/3ooy) | Crystal structure of human Transketolase (TKT) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Krojer, T, Krysztofinska, E, Guo, K, Pilka, E, Kochan, G, Chaikuad, A, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of human Transketolase (TKT) To be Published
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8D7W
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![BU of 8d7w by Molmil](/molmil-images/mine/8d7w) | |
8CVP
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![BU of 8cvp by Molmil](/molmil-images/mine/8cvp) | Cereblon-DDB1 in the Apo form | Descriptor: | DNA damage-binding protein 1, Protein cereblon, ZINC ION | Authors: | Watson, E.R, Lander, G.C. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular glue CELMoD compounds are regulators of cereblon conformation. Science, 378, 2022
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8D7X
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![BU of 8d7x by Molmil](/molmil-images/mine/8d7x) | |
8D7V
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![BU of 8d7v by Molmil](/molmil-images/mine/8d7v) | |
3P87
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![BU of 3p87 by Molmil](/molmil-images/mine/3p87) | Structure of human PCNA bound to RNASEH2B PIP box peptide | Descriptor: | Proliferating cell nuclear antigen, Ribonuclease H2 subunit B | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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3P4F
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![BU of 3p4f by Molmil](/molmil-images/mine/3p4f) | Structural and biochemical insights into MLL1 core complex assembly and regulation. | Descriptor: | Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5 | Authors: | Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F. | Deposit date: | 2010-10-06 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and biochemical insights into MLL1 core complex assembly. Structure, 19, 2011
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8DKB
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![BU of 8dkb by Molmil](/molmil-images/mine/8dkb) | |
3OP5
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![BU of 3op5 by Molmil](/molmil-images/mine/3op5) | Human vaccinia-related kinase 1 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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1QRD
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![BU of 1qrd by Molmil](/molmil-images/mine/1qrd) | QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX | Descriptor: | CIBACRON BLUE, DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Li, R, Bianchet, M.A, Talalay, P, Amzel, L.M. | Deposit date: | 1995-07-28 | Release date: | 1996-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structure of NAD(P)H:quinone reductase, a flavoprotein involved in cancer chemoprotection and chemotherapy: mechanism of the two-electron reduction. Proc.Natl.Acad.Sci.USA, 92, 1995
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8DEY
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![BU of 8dey by Molmil](/molmil-images/mine/8dey) | Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709 | Descriptor: | (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Ma, X, Ornelas, E, Clifton, M.C. | Deposit date: | 2022-06-21 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy. Cell Chem Biol, 30, 2023
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8CUC
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![BU of 8cuc by Molmil](/molmil-images/mine/8cuc) | |
8CV5
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![BU of 8cv5 by Molmil](/molmil-images/mine/8cv5) | Peptide 4.2B in complex with BRD3.2 | Descriptor: | ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ... | Authors: | Franck, C, Mackay, J.P. | Deposit date: | 2022-05-18 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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