4JPL
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![BU of 4jpl by Molmil](/molmil-images/mine/4jpl) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | Descriptor: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-19 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQK
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![BU of 4jqk by Molmil](/molmil-images/mine/4jqk) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4J5W
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![BU of 4j5w by Molmil](/molmil-images/mine/4j5w) | Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex | Descriptor: | MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ... | Authors: | Wallace, B.D, Betts, L, Redinbo, M.R. | Deposit date: | 2013-02-10 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha. J.Mol.Biol., 425, 2013
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1QIE
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4J9R
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![BU of 4j9r by Molmil](/molmil-images/mine/4j9r) | Human DNA polymerase eta-DNA translocated binary complex with TG mispair | Descriptor: | DNA (5'-D(*T*AP*CP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(P*TP*AP*CP*GP*TP*CP*AP*TP*G)-3'), DNA polymerase eta, ... | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2013-02-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JLA
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4JLT
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![BU of 4jlt by Molmil](/molmil-images/mine/4jlt) | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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4JM6
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![BU of 4jm6 by Molmil](/molmil-images/mine/4jm6) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JO7
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![BU of 4jo7 by Molmil](/molmil-images/mine/4jo7) | Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex with 2:2 stoichiometry | Descriptor: | Nucleoporin p54, Nucleoporin p58/p45 | Authors: | Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A. | Deposit date: | 2013-03-17 | Release date: | 2014-09-17 | Last modified: | 2016-02-03 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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4JV1
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![BU of 4jv1 by Molmil](/molmil-images/mine/4jv1) | Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming dgtp | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ... | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | Deposit date: | 2013-03-25 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4. Chem.Res.Toxicol., 26, 2013
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4JYA
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![BU of 4jya by Molmil](/molmil-images/mine/4jya) | Crystal structures of pseudouridinilated stop codons with ASLs | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | Deposit date: | 2013-03-29 | Release date: | 2013-06-26 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (3.098 Å) | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome. Nature, 500, 2013
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4J9S
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![BU of 4j9s by Molmil](/molmil-images/mine/4j9s) | Human DNA polymerase eta-DNA translocated binary complex: with TA base pair | Descriptor: | DNA (5'-D(*T*AP*TP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ... | Authors: | Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2013-02-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta. Proc.Natl.Acad.Sci.USA, 110, 2013
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3LNB
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![BU of 3lnb by Molmil](/molmil-images/mine/3lnb) | Crystal Structure Analysis of Arylamine N-acetyltransferase C from Bacillus anthracis | Descriptor: | COENZYME A, FORMIC ACID, N-acetyltransferase family protein | Authors: | Li de la Sierra-Gallay, I, Pluvinage, B, Rodrigues-Lima, F. | Deposit date: | 2010-02-02 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Bacillus anthracis arylamine N-acetyltransferase ((BACAN)NAT1) that inactivates sulfamethoxazole, reveals unusual structural features compared with the other NAT isoenzymes. Febs Lett., 585, 2011
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3LO6
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![BU of 3lo6 by Molmil](/molmil-images/mine/3lo6) | |
3LO4
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6XV9
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![BU of 6xv9 by Molmil](/molmil-images/mine/6xv9) | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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3LQ2
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![BU of 3lq2 by Molmil](/molmil-images/mine/3lq2) | E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Furey, W. | Deposit date: | 2010-02-08 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms. J.Biol.Chem., 285, 2010
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6O9S
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6XVA
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![BU of 6xva by Molmil](/molmil-images/mine/6xva) | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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3D9G
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![BU of 3d9g by Molmil](/molmil-images/mine/3d9g) | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ... | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | Deposit date: | 2008-05-27 | Release date: | 2009-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction. Biochemistry, 48, 2009
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7OSO
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![BU of 7oso by Molmil](/molmil-images/mine/7oso) | The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol | Descriptor: | (2~{S})-butane-1,2,4-triol, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION | Authors: | Polsinelli, I, Salomone-Stagni, M, Benini, S. | Deposit date: | 2021-06-09 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol. Acta Crystallogr.,Sect.F, 78, 2022
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3L7C
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![BU of 3l7c by Molmil](/molmil-images/mine/3l7c) | Crystal Structure of Glycogen Phosphorylase DK4 complex | Descriptor: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | Deposit date: | 2009-12-28 | Release date: | 2010-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
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3LAC
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![BU of 3lac by Molmil](/molmil-images/mine/3lac) | Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Pyrrolidone-carboxylate peptidase | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-06 | Release date: | 2010-01-19 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP To be Published
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7OUE
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![BU of 7oue by Molmil](/molmil-images/mine/7oue) | Crystal structure of a trapped Pab-AGOG/single-standed DNA covalent intermediate | Descriptor: | DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), N-glycosylase/DNA lyase, PHOSPHATE ION, ... | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | Deposit date: | 2021-06-11 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
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6OH7
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![BU of 6oh7 by Molmil](/molmil-images/mine/6oh7) | |