4YM5
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![BU of 4ym5 by Molmil](/molmil-images/mine/4ym5) | Crystal structure of the human nucleosome containing 6-4PP (inside) | Descriptor: | 144 mer-DNA, 144-mer DNA, Histone H2A type 1-B/E, ... | Authors: | Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H. | Deposit date: | 2015-03-06 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.005 Å) | Cite: | Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome Sci Rep, 5, 2015
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4DJA
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![BU of 4dja by Molmil](/molmil-images/mine/4dja) | Crystal structure of a prokaryotic (6-4) photolyase PhrB from Agrobacterium Tumefaciens with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore at 1.45A resolution | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Scheerer, P, Zhang, F, Oberpichler, I, Lamparter, T, Krauss, N. | Deposit date: | 2012-02-01 | Release date: | 2013-04-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore. Proc.Natl.Acad.Sci.USA, 110, 2013
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5UF6
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![BU of 5uf6 by Molmil](/molmil-images/mine/5uf6) | The 2.8 A Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparanoid Pentasaccharide | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, capsid protein VP1 | Authors: | Xie, Q, Spear, J.M, Noble, A.J, Sousa, D.R, Meyer, N.L, Davulcu, O, Zhang, F, Linhardt, R.J, Stagg, S.M, Chapman, M. | Deposit date: | 2017-01-03 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The 2.8 angstrom Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparinoid Pentasaccharide. Mol Ther Methods Clin Dev, 5, 2017
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5UMO
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6UJU
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![BU of 6uju by Molmil](/molmil-images/mine/6uju) | Structure of the HIV-1 gp41 transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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1L6U
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![BU of 1l6u by Molmil](/molmil-images/mine/1l6u) | NMR STRUCTURE OF OXIDIZED ADRENODOXIN | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | Deposit date: | 2002-03-14 | Release date: | 2002-06-26 | Last modified: | 2020-02-05 | Method: | SOLUTION NMR | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin. Biochemistry, 41, 2002
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1L6V
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![BU of 1l6v by Molmil](/molmil-images/mine/1l6v) | STRUCTURE OF REDUCED BOVINE ADRENODOXIN | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | Deposit date: | 2002-03-14 | Release date: | 2002-06-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin. Biochemistry, 41, 2002
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3DIP
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![BU of 3dip by Molmil](/molmil-images/mine/3dip) | Crystal structure of an enolase protein from the environmental genome shotgun sequencing of the Sargasso Sea | Descriptor: | SULFATE ION, enolase | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Zhang, F, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-20 | Release date: | 2008-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of an enolase protein from the environmental genome shotgun sequencing of the Sargasso Sea To be Published
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3BUT
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![BU of 3but by Molmil](/molmil-images/mine/3but) | Crystal structure of protein Af_0446 from Archaeoglobus fulgidus | Descriptor: | Uncharacterized protein Af_0446 | Authors: | Bonanno, J.B, Patskovsky, Y, Ozyurt, S, Ashok, S, Zhang, F, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-03 | Release date: | 2008-01-15 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of protein Af_0446 from Archaeoglobus fulgidus. To be Published
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3CYJ
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![BU of 3cyj by Molmil](/molmil-images/mine/3cyj) | Crystal structure of a mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing enzyme-like protein, SODIUM ION | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Zhang, F, Bravo, J, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-04-25 | Release date: | 2008-05-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus. To be Published
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1RY7
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![BU of 1ry7 by Molmil](/molmil-images/mine/1ry7) | Crystal Structure of the 3 Ig form of FGFR3c in complex with FGF1 | Descriptor: | Fibroblast growth factor receptor 3, Heparin-binding growth factor 1 | Authors: | Olsen, S.K, Ibrahimi, O.A, Raucci, A, Zhang, F, Eliseenkova, A.V, Yayon, A, Basilico, C, Linhardt, R.J, Schlessinger, J, Mohammadi, M. | Deposit date: | 2003-12-19 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Insights into the molecular basis for fibroblast growth factor receptor autoinhibition and ligand-binding promiscuity. Proc.Natl.Acad.Sci.Usa, 101, 2004
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6LQX
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![BU of 6lqx by Molmil](/molmil-images/mine/6lqx) | Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7 | Descriptor: | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION | Authors: | Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C. | Deposit date: | 2020-01-14 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects To Be Published
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7E3X
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![BU of 7e3x by Molmil](/molmil-images/mine/7e3x) | Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S. | Deposit date: | 2021-02-09 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters Catalysis Science And Technology, 2021
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8UYO
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5Y9Q
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![BU of 5y9q by Molmil](/molmil-images/mine/5y9q) | |
5YXC
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![BU of 5yxc by Molmil](/molmil-images/mine/5yxc) | Crystal structure of Zinc binding protein ZinT in complex with citrate from E. coli | Descriptor: | CITRIC ACID, Metal-binding protein ZinT, ZINC ION | Authors: | Chen, J, Wang, L, Shang, F, Xu, Y. | Deposit date: | 2017-12-04 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Crystal structure of E. coli ZinT with one zinc-binding mode and complexed with citrate Biochem. Biophys. Res. Commun., 500, 2018
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5Z7H
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5AQX
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![BU of 5aqx by Molmil](/molmil-images/mine/5aqx) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQL
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![BU of 5aql by Molmil](/molmil-images/mine/5aql) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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6K28
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![BU of 6k28 by Molmil](/molmil-images/mine/6k28) | Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-13 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6JYY
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![BU of 6jyy by Molmil](/molmil-images/mine/6jyy) | Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia | Descriptor: | Hydroxyethylthiazole kinase | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-04-29 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6K63
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![BU of 6k63 by Molmil](/molmil-images/mine/6k63) | The crystal structure of cytidine deaminase from Klebsiella pneumoniae | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytidine deaminase, ZINC ION | Authors: | Liu, W, Shang, F, Lan, J, Chen, Y, Wang, L, Xu, Y. | Deposit date: | 2019-06-01 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.073 Å) | Cite: | Biochemical and structural analysis of the Klebsiella pneumoniae cytidine deaminase CDA. Biochem.Biophys.Res.Commun., 519, 2019
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5AQU
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![BU of 5aqu by Molmil](/molmil-images/mine/5aqu) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AR0
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![BU of 5ar0 by Molmil](/molmil-images/mine/5ar0) | HSP72 with adenosine-derived inhibitor | Descriptor: | (2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | Deposit date: | 2015-09-22 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70. J.Med.Chem., 59, 2016
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5AQO
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![BU of 5aqo by Molmil](/molmil-images/mine/5aqo) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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