2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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5VA7
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![BU of 5va7 by Molmil](/molmil-images/mine/5va7) | Glucocorticoid Receptor DNA Binding Domain - IL11 AP-1 recognition element Complex | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*GP*AP*GP*TP*CP*AP*GP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*CP*TP*GP*AP*CP*TP*CP*AP*CP*CP*CP*T)-3'), Glucocorticoid receptor, ... | Authors: | Weikum, E.R, Ortlund, E.A. | Deposit date: | 2017-03-24 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Tethering not required: the glucocorticoid receptor binds directly to activator protein-1 recognition motifs to repress inflammatory genes. Nucleic Acids Res., 45, 2017
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2B3U
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![BU of 2b3u by Molmil](/molmil-images/mine/2b3u) | Human Spermine spermidine acetyltransferase K26R mutant | Descriptor: | Diamine acetyltransferase 1, SULFATE ION | Authors: | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-09-21 | Release date: | 2006-01-17 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target. Proc.Natl.Acad.Sci.USA, 103, 2006
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5UMK
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2X9J
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3TAE
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![BU of 3tae by Molmil](/molmil-images/mine/3tae) | 5-hydroxycytosine paired with dAMP in RB69 gp43 | Descriptor: | DNA (5'-D(*CP*CP*(5OC)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*A)-3'), DNA polymerase, ... | Authors: | Zahn, K.E. | Deposit date: | 2011-08-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site. Biochemistry, 50, 2011
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2FPI
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5OB3
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![BU of 5ob3 by Molmil](/molmil-images/mine/5ob3) | iSpinach aptamer | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, POTASSIUM ION, RNA aptamer (69-MER), ... | Authors: | Fernandez-Millan, P, Autour, A, Westhof, E, Ryckelynck, M. | Deposit date: | 2017-06-26 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Crystal structure and fluorescence properties of the iSpinach aptamer in complex with DFHBI. RNA, 23, 2017
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8DUK
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![BU of 8duk by Molmil](/molmil-images/mine/8duk) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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8E1M
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2WWO
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![BU of 2wwo by Molmil](/molmil-images/mine/2wwo) | Yersinia pseudotuberculosis Superoxide Dismutase C | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Basak, A.K, Duffield, M.L, Naylor, C.E, Huyet, J, Titball, R.W. | Deposit date: | 2009-10-26 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Yersinia Pseudotuberculosis Superoxide Dismutase (Sodc) To be Published
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5USR
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6VD8
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8DLE
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![BU of 8dle by Molmil](/molmil-images/mine/8dle) | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes. J.Am.Chem.Soc., 146, 2024
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6E9Y
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![BU of 6e9y by Molmil](/molmil-images/mine/6e9y) | DHF38 filament | Descriptor: | DHF38 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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8DQ6
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6V17
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![BU of 6v17 by Molmil](/molmil-images/mine/6v17) | Crystal structure of the bromodomain of human BRD7 bound to I-BRD9 | Descriptor: | Bromodomain-containing protein 7, CHLORIDE ION, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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2X99
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![BU of 2x99 by Molmil](/molmil-images/mine/2x99) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | Deposit date: | 2010-03-15 | Release date: | 2010-07-21 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography J.Biol.Chem., 285, 2010
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6V1Y
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![BU of 6v1y by Molmil](/molmil-images/mine/6v1y) | Cryo-EM Structure of the Hyperpolarization-Activated Potassium Channel KAT1: Octamer | Descriptor: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate, (3beta,5beta,14beta,17alpha)-cholestan-3-ol, Potassium channel KAT1 | Authors: | Clark, M.D, Contreras, G.F, Shen, R, Perozo, E. | Deposit date: | 2019-11-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Electromechanical coupling in the hyperpolarization-activated K + channel KAT1. Nature, 583, 2020
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6UZF
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![BU of 6uzf by Molmil](/molmil-images/mine/6uzf) | Crystal structure of the unliganded bromodomain of human BRD9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, DIMETHYL SULFOXIDE, ... | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-15 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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4I34
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![BU of 4i34 by Molmil](/molmil-images/mine/4i34) | Crystal Structure of W-W-W ClpX Hexamer | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION | Authors: | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | Deposit date: | 2012-11-23 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.1218 Å) | Cite: | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine. Cell(Cambridge,Mass.), 153, 2013
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2WJ7
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![BU of 2wj7 by Molmil](/molmil-images/mine/2wj7) | human alphaB crystallin | Descriptor: | ALPHA-CRYSTALLIN B CHAIN | Authors: | Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. | Deposit date: | 2009-05-22 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20. J.Mol.Biol., 392, 2009
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2X7T
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![BU of 2x7t by Molmil](/molmil-images/mine/2x7t) | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2010-03-03 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
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6V2W
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![BU of 6v2w by Molmil](/molmil-images/mine/6v2w) | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | Deposit date: | 2019-11-25 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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6V40
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![BU of 6v40 by Molmil](/molmil-images/mine/6v40) | Structure of Salmonella Typhi TtsA | Descriptor: | 2,6-DIAMINOPIMELIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PG_binding_3 domain-containing protein | Authors: | Galan, J.E, Lara-Tejero, M. | Deposit date: | 2019-11-27 | Release date: | 2020-01-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Mechanisms of substrate recognition by a typhoid toxin secretion-associated muramidase. Elife, 9, 2020
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