3KK5
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3KTL
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![BU of 3ktl by Molmil](/molmil-images/mine/3ktl) | Crystal Structure of an I71A human GSTA1-1 mutant in complex with S-hexylglutathione | Descriptor: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | Authors: | Achilonu, I.A, Gildenhuys, S, Fernandes, M.A, Fanucchi, S, Dirr, H.W. | Deposit date: | 2009-11-25 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function. Acta Crystallogr.,Sect.F, 66, 2010
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8FDL
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![BU of 8fdl by Molmil](/molmil-images/mine/8fdl) | Human Hemoglobin with Nitrosochloramphenicol | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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6TO5
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![BU of 6to5 by Molmil](/molmil-images/mine/6to5) | |
6TOC
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8FDN
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![BU of 8fdn by Molmil](/molmil-images/mine/8fdn) | Human Hemoglobin with N-tertbutylhydroxylamine | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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5ELY
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![BU of 5ely by Molmil](/molmil-images/mine/5ely) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | Deposit date: | 2015-11-05 | Release date: | 2016-04-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem., 59, 2016
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8FDM
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![BU of 8fdm by Molmil](/molmil-images/mine/8fdm) | Human Hemoglobin in Complex with Nitrosomethane | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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5DB3
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![BU of 5db3 by Molmil](/molmil-images/mine/5db3) | Menin in complex with MI-574 | Descriptor: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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6NE3
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![BU of 6ne3 by Molmil](/molmil-images/mine/6ne3) | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h bound at SHL-2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (156-MER), Histone H2A type 1, ... | Authors: | Armache, J.-P, Gamarra, N, Johnson, S.L, Leonard, J.D, Wu, S, Narlikar, G.N, Cheng, Y. | Deposit date: | 2018-12-16 | Release date: | 2019-07-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of remodeler-nucleosome intermediates suggest allosteric control through the nucleosome. Elife, 8, 2019
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6T79
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![BU of 6t79 by Molmil](/molmil-images/mine/6t79) | Structure of a human nucleosome at 3.2 A resolution | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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5K2G
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7BBO
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![BU of 7bbo by Molmil](/molmil-images/mine/7bbo) | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
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4RFC
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![BU of 4rfc by Molmil](/molmil-images/mine/4rfc) | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Descriptor: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | Deposit date: | 2014-09-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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7R6Z
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![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | Deposit date: | 2021-06-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7BBP
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![BU of 7bbp by Molmil](/molmil-images/mine/7bbp) | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac To Be Published
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5D29
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![BU of 5d29 by Molmil](/molmil-images/mine/5d29) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | Deposit date: | 2015-08-05 | Release date: | 2016-04-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem., 59, 2016
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5D9E
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![BU of 5d9e by Molmil](/molmil-images/mine/5d9e) | Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II | Descriptor: | CHLORIDE ION, Caulosegnin II | Authors: | Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A. | Deposit date: | 2015-08-18 | Release date: | 2016-02-17 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (0.859 Å) | Cite: | The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II. Mol Biosyst, 12, 2016
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5DDD
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![BU of 5ddd by Molmil](/molmil-images/mine/5ddd) | menin in complex with MI-836 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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4P45
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5APO
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![BU of 5apo by Molmil](/molmil-images/mine/5apo) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and C-terminally tagged Rei1 | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, N. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell(Cambridge,Mass.), 164, 2016
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4P5Z
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![BU of 4p5z by Molmil](/molmil-images/mine/4p5z) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-20 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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6T7D
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![BU of 6t7d by Molmil](/molmil-images/mine/6t7d) | Structure of human Sox11 transcription factor in complex with a nucleosome | Descriptor: | DNA (151-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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7RON
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7ROO
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![BU of 7roo by Molmil](/molmil-images/mine/7roo) | |