5HMM
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![BU of 5hmm by Molmil](/molmil-images/mine/5hmm) | Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exodeoxyribonuclease, ... | Authors: | Flemming, C.S, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-16 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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3QMW
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![BU of 3qmw by Molmil](/molmil-images/mine/3qmw) | RedJ with PEG molecule bound in the active site | Descriptor: | TETRAETHYLENE GLYCOL, Thioesterase | Authors: | Whicher, J.R, Smith, J.L. | Deposit date: | 2011-02-05 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Function of the RedJ Protein, a Thioesterase from the Prodiginine Biosynthetic Pathway in Streptomyces coelicolor. J.Biol.Chem., 286, 2011
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1T2C
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![BU of 1t2c by Molmil](/molmil-images/mine/1t2c) | Plasmodium falciparum lactate dehydrogenase complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1T84
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![BU of 1t84 by Molmil](/molmil-images/mine/1t84) | Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor | Descriptor: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL, Wiskott-Aldrich syndrome protein | Authors: | Peterson, J.R, Bickford, L.C, Morgan, D, Kim, A.S, Ouerfelli, O, Kirschner, M.W, Rosen, M.K. | Deposit date: | 2004-05-11 | Release date: | 2004-07-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation. Nat.Struct.Mol.Biol., 11, 2004
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5HYN
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![BU of 5hyn by Molmil](/molmil-images/mine/5hyn) | Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide | Descriptor: | H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ... | Authors: | Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J. | Deposit date: | 2016-02-01 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2. Nat Commun, 7, 2016
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5HVY
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![BU of 5hvy by Molmil](/molmil-images/mine/5hvy) | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | Deposit date: | 2016-01-28 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
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6DQY
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6MBJ
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![BU of 6mbj by Molmil](/molmil-images/mine/6mbj) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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3QU8
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![BU of 3qu8 by Molmil](/molmil-images/mine/3qu8) | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | Descriptor: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-02-23 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol., 80, 2011
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1T67
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![BU of 1t67 by Molmil](/molmil-images/mine/1t67) | Crystal Structure of Human HDAC8 complexed with MS-344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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5HP4
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![BU of 5hp4 by Molmil](/molmil-images/mine/5hp4) | Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | Deposit date: | 2016-01-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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3QKL
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![BU of 3qkl by Molmil](/molmil-images/mine/3qkl) | Spirochromane Akt Inhibitors | Descriptor: | GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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5I4E
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![BU of 5i4e by Molmil](/molmil-images/mine/5i4e) | Crystal Structure of Human Nonmuscle Myosin 2C motor domain | Descriptor: | ADP ORTHOVANADATE, MAGNESIUM ION, Myosin-14,Alpha-actinin A | Authors: | Chinthalapudi, K, Heissler, S.M, Preller, M, Sellers, J.R, Manstein, D.J. | Deposit date: | 2016-02-11 | Release date: | 2017-09-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the active site and allosteric communication pathways in human nonmuscle myosin-2C. Elife, 6, 2017
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1T2D
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![BU of 1t2d by Molmil](/molmil-images/mine/1t2d) | Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate | Descriptor: | GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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5I5Q
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![BU of 5i5q by Molmil](/molmil-images/mine/5i5q) | Re refinement of 4mwn. | Descriptor: | DIMETHYL SULFOXIDE, Lysozyme C, NITRATE ION, ... | Authors: | Helliwell, J.R. | Deposit date: | 2016-02-15 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn, 3, 2016
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1U35
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![BU of 1u35 by Molmil](/molmil-images/mine/1u35) | Crystal structure of the nucleosome core particle containing the histone domain of macroH2A | Descriptor: | H2A histone family, Hist1h4i protein, Histone H3.1, ... | Authors: | Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | Deposit date: | 2004-07-20 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of the histone variant macroH2A. Mol.Cell.Biol., 25, 2005
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5I6U
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![BU of 5i6u by Molmil](/molmil-images/mine/5i6u) | The crystal structure of PI3Kdelta with compound 32 | Descriptor: | 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2016-02-16 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.842 Å) | Cite: | The crystal structure of PI3Kdelta with compound 32 To Be Published
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5IBS
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![BU of 5ibs by Molmil](/molmil-images/mine/5ibs) | Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | Deposit date: | 2016-02-22 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2. Biochemistry, 55, 2016
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1RYK
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![BU of 1ryk by Molmil](/molmil-images/mine/1ryk) | Solution NMR Structure Protein yjbJ from Escherichia coli. Northeast Structural Genomics Consortium Target ET93; Ontario Centre for Structural Proteomics target EC0298_1_69; | Descriptor: | Protein yjbJ | Authors: | Pineda-Lucena, A, Liao, J, Wu, B, Yee, A, Cort, J.R, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-22 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An NMR approach to structural proteomics. Proteins, 47, 2002
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3QXY
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![BU of 3qxy by Molmil](/molmil-images/mine/3qxy) | Human SETD6 in complex with RelA Lys310 | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | Deposit date: | 2011-03-02 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling. Nucleic Acids Res., 39, 2011
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1S44
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![BU of 1s44 by Molmil](/molmil-images/mine/1s44) | The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Crustacyanin A1 subunit, GLYCEROL, ... | Authors: | Habash, J, Helliwell, J.R, Raftery, J, Cianci, M, Rizkallah, P.J, Chayen, N.E, Nneji, G.A, Zagalsky, P.F. | Deposit date: | 2004-01-15 | Release date: | 2004-04-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure and refinement of apocrustacyanin C2 to 1.3 A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1. Acta Crystallogr.,Sect.D, 60, 2004
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6MG1
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![BU of 6mg1 by Molmil](/molmil-images/mine/6mg1) | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2018-09-12 | Release date: | 2018-12-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA. Nucleic Acids Res., 47, 2019
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3QXV
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3S3Y
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1RYJ
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![BU of 1ryj by Molmil](/molmil-images/mine/1ryj) | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | Descriptor: | unknown | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-22 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | AN NMR APPROACH TO STRUCTURAL PROTEOMICS Proc.Natl.Acad.Sci.USA, 99, 2002
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