8FWX
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8FE9
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![BU of 8fe9 by Molmil](/molmil-images/mine/8fe9) | Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor (R)-9b | Descriptor: | Activated CDC42 kinase 1, N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo | Authors: | Paung, Y, Kan, Y, Seeliger, M.S, Miller, W.T. | Deposit date: | 2022-12-06 | Release date: | 2023-03-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk. Biochemistry, 62, 2023
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4N20
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![BU of 4n20 by Molmil](/molmil-images/mine/4n20) | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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3QVR
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![BU of 3qvr by Molmil](/molmil-images/mine/3qvr) | Crystal structure of glucose oxidase for space group P3121 at 1.3 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kommoju, P, Chen, Z, Bruckner, R.C, Mathews, F.S, Jorns, M.S. | Deposit date: | 2011-02-25 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate. Biochemistry, 50, 2011
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4NBL
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4N6S
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![BU of 4n6s by Molmil](/molmil-images/mine/4n6s) | Crystals of cross-linked stabilized and functional Phycobilisomes: only phycocyanin rods contribute to diffraction. | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN | Authors: | David, L, Prado, M, Arteni, A, Elmlund, D.A, Blankenship, R.E, Adir, N. | Deposit date: | 2013-10-14 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies show energy transfer within stabilized phycobilisomes independent of the mode of rod-core assembly. Biochim.Biophys.Acta, 1837, 2014
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3TJP
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![BU of 3tjp by Molmil](/molmil-images/mine/3tjp) | Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine | Descriptor: | N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Knapp, M.S, Elling, R.A, Ornelas, E. | Deposit date: | 2011-08-24 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer To be Published
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4N87
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![BU of 4n87 by Molmil](/molmil-images/mine/4n87) | Crystal structure of V30M mutant human transthyretin complexed with glabridin | Descriptor: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Crystal structures of human transthyretin complexed with glabridin J.Med.Chem., 57, 2014
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4MSF
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![BU of 4msf by Molmil](/molmil-images/mine/4msf) | Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(hydroxymethyl)phenol, ... | Authors: | Singh, A, Singh, R.P, Sinha, M, Singh, A.K, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-09-18 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom resolution To be published
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3TNP
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![BU of 3tnp by Molmil](/molmil-images/mine/3tnp) | Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | Authors: | Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S. | Deposit date: | 2011-09-01 | Release date: | 2012-02-01 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme Science, 335, 2012
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3TNU
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![BU of 3tnu by Molmil](/molmil-images/mine/3tnu) | Heterocomplex of coil 2B domains of human intermediate filament proteins, keratin 5 (KRT5) and keratin 14 (KRT14) | Descriptor: | Keratin, type I cytoskeletal 14, type II cytoskeletal 5 | Authors: | Lee, C.H, Kim, M.S, Leahy, D.J, Coulombe, P.A. | Deposit date: | 2011-09-02 | Release date: | 2012-06-20 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structural basis for heteromeric assembly and perinuclear organization of keratin filaments. Nat.Struct.Mol.Biol., 19, 2012
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4MZV
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![BU of 4mzv by Molmil](/molmil-images/mine/4mzv) | Crystal structure of extracellular part of human EpCAM | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, Epithelial cell adhesion molecule | Authors: | Pavsic, M, Guncar, G, Djinovic-Carugo, K, Lenarcic, B. | Deposit date: | 2013-09-30 | Release date: | 2014-08-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Crystal structure and its bearing towards an understanding of key biological functions of EpCAM. Nat Commun, 5, 2014
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4MUX
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![BU of 4mux by Molmil](/molmil-images/mine/4mux) | IspH in complex with pyridin-3-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4QLP
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![BU of 4qlp by Molmil](/molmil-images/mine/4qlp) | Atomic structure of tuberculosis necrotizing toxin (TNT) complexed with its immunity factor IFT | Descriptor: | Alanine and proline rich protein, tuberculosis necrotizing toxin (TNT), immunity factor IFT | Authors: | Cingolani, G, Lokareddy, R.K, Sun, J, Siroy, A, Speer, A, Doornbos, K.S, Niederweis, M. | Deposit date: | 2014-06-12 | Release date: | 2015-07-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The tuberculosis necrotizing toxin kills macrophages by hydrolyzing NAD. Nat.Struct.Mol.Biol., 22, 2015
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2WPC
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![BU of 2wpc by Molmil](/molmil-images/mine/2wpc) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) | Descriptor: | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-05 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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1ALX
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![BU of 1alx by Molmil](/molmil-images/mine/1alx) | GRAMICIDIN D FROM BACILLUS BREVIS (METHANOL SOLVATE) | Descriptor: | GRAMICIDIN A, METHANOL | Authors: | Burkhart, B.M, Langs, D.A, Smith, G.D, Courseille, C, Precigoux, G, Hospital, M, Pangborn, W.A, Duax, W.L. | Deposit date: | 1997-06-05 | Release date: | 1998-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
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4Q28
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![BU of 4q28 by Molmil](/molmil-images/mine/4q28) | Crystal Structure of the Plectin 1 and 2 Repeats of the Human Periplakin. Northeast Structural Genomics Consortium (NESG) Target HR9083A | Descriptor: | Periplakin | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Janjua, H, Xiao, R, O'Connell, P.T, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-04-07 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal Structure of the Plectin 1 and 2 Repeats of Human Periplakin. To be Published
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1L3N
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![BU of 1l3n by Molmil](/molmil-images/mine/1l3n) | The Solution Structure of Reduced Dimeric Copper Zinc SOD: the Structural Effects of Dimerization | Descriptor: | COPPER (I) ION, ZINC ION, superoxide dismutase [Cu-Zn] | Authors: | Banci, L, Bertini, I, Cramaro, F, Del Conte, R, Viezzoli, M.S. | Deposit date: | 2002-02-28 | Release date: | 2002-05-08 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | The solution structure of reduced dimeric copper zinc superoxide dismutase. The structural effects of dimerization Eur.J.Biochem., 269, 2002
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4PWE
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4PWJ
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![BU of 4pwj by Molmil](/molmil-images/mine/4pwj) | Crystal structure of V30M mutant human transthyretin complexed with nordihydroguaiaretic acid | Descriptor: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin J.Med.Chem., 57, 2014
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4QOH
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![BU of 4qoh by Molmil](/molmil-images/mine/4qoh) | Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RESVERATROL, ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of fad quinone reductase 2 in complex
with resveratrol at 1.6A To be Published
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4PW7
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![BU of 4pw7 by Molmil](/molmil-images/mine/4pw7) | structure of UHRF2-SRA in complex with a 5mC-containing DNA | Descriptor: | 5mC-containing DNA1, 5mC-containing DNA2, E3 ubiquitin-protein ligase UHRF2 | Authors: | ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M. | Deposit date: | 2014-03-19 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2. Mol.Cell, 54, 2014
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2WPE
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![BU of 2wpe by Molmil](/molmil-images/mine/2wpe) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-06 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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6O3A
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![BU of 6o3a by Molmil](/molmil-images/mine/6o3a) | Crystal structure of Frizzled 7 CRD in complex with F7.B Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2WOV
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![BU of 2wov by Molmil](/molmil-images/mine/2wov) | Trypanosoma brucei trypanothione reductase with bound NADP. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | Authors: | Alphey, M.S, Fairlamb, A.H. | Deposit date: | 2009-07-30 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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