4YCX
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![BU of 4ycx by Molmil](/molmil-images/mine/4ycx) | Binary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate | Descriptor: | DNA (5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2015-02-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UC5
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![BU of 4uc5 by Molmil](/molmil-images/mine/4uc5) | Neisseria Meningitidis DAH7PS-Phenylalanine regulated | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHENYLALANINE, ... | Authors: | Heyes, L.C, Lang, E.J.M, Parker, E.J. | Deposit date: | 2014-12-03 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Calculated Pka Variations Expose Dynamic Allosteric Communication Networks. J.Am.Chem.Soc., 138, 2016
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4UMB
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![BU of 4umb by Molmil](/molmil-images/mine/4umb) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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4UMA
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![BU of 4uma by Molmil](/molmil-images/mine/4uma) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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1XW3
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![BU of 1xw3 by Molmil](/molmil-images/mine/1xw3) | Crystal Structure of Human Sulfiredoxin (Srx) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, SULFIREDOXIN | Authors: | Murray, M.S, Jonsson, T.J, Johnson, L.C, Poole, L.B, Lowther, W.T. | Deposit date: | 2004-10-29 | Release date: | 2005-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the retroreduction of inactivated peroxiredoxins by human sulfiredoxin. Biochemistry, 44, 2005
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1XSN
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![BU of 1xsn by Molmil](/molmil-images/mine/1xsn) | Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C. | Deposit date: | 2004-10-19 | Release date: | 2005-01-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A closed conformation for the Pol lambda catalytic cycle. Nat.Struct.Mol.Biol., 12, 2005
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1XX7
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![BU of 1xx7 by Molmil](/molmil-images/mine/1xx7) | Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001 | Descriptor: | NICKEL (II) ION, UNKNOWN ATOM OR ION, oxetanocin-like protein | Authors: | Chen, L, Tempel, W, Habel, J, Zhou, W, Nguyen, D, Chang, S.-H, Lee, D, Kelley, L.-L.C, Dillard, B.D, Liu, Z.-J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-11-04 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001 To be published
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5HGP
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![BU of 5hgp by Molmil](/molmil-images/mine/5hgp) | |
6TYV
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![BU of 6tyv by Molmil](/molmil-images/mine/6tyv) | |
6RXN
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![BU of 6rxn by Molmil](/molmil-images/mine/6rxn) | |
5FGW
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![BU of 5fgw by Molmil](/molmil-images/mine/5fgw) | Structure of Sda1 nuclease with bound zinc ion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | Deposit date: | 2015-12-21 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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5FR2
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![BU of 5fr2 by Molmil](/molmil-images/mine/5fr2) | Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178 | Descriptor: | FARNESYL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kuhlmann, N, Wroblowski, S, Knyphausen, P, de Boor, S, Brenig, J, Zienert, A.Y, Meyer-Teschendorf, K, Praefcke, G.J.K, Nolte, H, Krueger, M, Schacherl, M, Baumann, U, James, L.C, Chin, J.W, Lammers, M. | Deposit date: | 2015-12-15 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structural and Mechanistic Insights Into the Regulation of the Fundamental Rho-Regulator Rhogdi Alpha by Lysine Acetylation. J.Biol.Chem., 291, 2016
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5FTG
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![BU of 5ftg by Molmil](/molmil-images/mine/5ftg) | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | Authors: | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | Deposit date: | 2016-01-13 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1) Sci.Rep., 6, 2016
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4Q5Q
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![BU of 4q5q by Molmil](/molmil-images/mine/4q5q) | |
6TYX
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4ZQL
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![BU of 4zql by Molmil](/molmil-images/mine/4zql) | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | Descriptor: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor To Be Published
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6TYU
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![BU of 6tyu by Molmil](/molmil-images/mine/6tyu) | |
6U7D
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![BU of 6u7d by Molmil](/molmil-images/mine/6u7d) | |
4Q5N
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4Z6I
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![BU of 4z6i by Molmil](/molmil-images/mine/4z6i) | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AFV
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![BU of 5afv by Molmil](/molmil-images/mine/5afv) | Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1. | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA | Authors: | Serran-Aguilera, L, Nuti, R, Lopez-Cara, L.C, Gallo Mezo, M.A, Macchiarulo, A, Entrena, A, Hurtado-Guerrero, R. | Deposit date: | 2015-01-26 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1 Mol Inform, 34, 2015
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1XSL
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![BU of 1xsl by Molmil](/molmil-images/mine/1xsl) | Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap | Descriptor: | 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*CP*CP*G)-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C. | Deposit date: | 2004-10-19 | Release date: | 2005-01-18 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A closed conformation for the Pol lambda catalytic cycle. Nat.Struct.Mol.Biol., 12, 2005
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1XI3
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![BU of 1xi3 by Molmil](/molmil-images/mine/1xi3) | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 | Descriptor: | NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ... | Authors: | Zhou, W, Chen, L, Tempel, W, Liu, Z.-J, Habel, J, Lee, D, Lin, D, Chang, S.-H, Dillard, B.D, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Kelley, L.-L.C, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 To be published
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1XW4
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![BU of 1xw4 by Molmil](/molmil-images/mine/1xw4) | Crystal Structure of Human Sulfiredoxin (Srx) in Complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Sulfiredoxin | Authors: | Murray, M.S, Jonsson, T.J, Johnson, L.C, Poole, L.B, Lowther, W.T. | Deposit date: | 2004-10-29 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the retroreduction of inactivated peroxiredoxins by human sulfiredoxin. Biochemistry, 44, 2005
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1XPW
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![BU of 1xpw by Molmil](/molmil-images/mine/1xpw) | Solution NMR Structure of human protein HSPCO34. Northeast Structural Genomics Target HR1958 | Descriptor: | LOC51668 protein | Authors: | Ramelot, T.A, Xiao, R, Ma, L.C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-09 | Release date: | 2004-11-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Improving NMR protein structure quality by Rosetta refinement: a molecular replacement study. Proteins, 75, 2009
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