2XNZ
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![BU of 2xnz by Molmil](/molmil-images/mine/2xnz) | xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening | Descriptor: | 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-06 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2XP8
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![BU of 2xp8 by Molmil](/molmil-images/mine/2xp8) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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7XZ5
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![BU of 7xz5 by Molmil](/molmil-images/mine/7xz5) | GPR119-Gs-LPC complex | Descriptor: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-06-02 | Release date: | 2022-08-24 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. Nat.Struct.Mol.Biol., 29, 2022
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2XSX
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![BU of 2xsx by Molmil](/molmil-images/mine/2xsx) | Crystal structure of human beta enolase ENOB | Descriptor: | 1,2-ETHANEDIOL, BETA-ENOLASE, MAGNESIUM ION, ... | Authors: | Vollmar, M, Krysztofinska, E, Chaikuad, A, Krojer, T, Cocking, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Yue, W.W, Oppermann, U. | Deposit date: | 2010-09-30 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Beta Enolase Enob To be Published
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2XGO
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![BU of 2xgo by Molmil](/molmil-images/mine/2xgo) | XcOGT in complex with UDP-S-GlcNAc | Descriptor: | URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE, XCOGT | Authors: | Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M. | Deposit date: | 2010-06-07 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors. Amino Acids, 40, 2011
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4UZ5
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![BU of 4uz5 by Molmil](/molmil-images/mine/4uz5) | |
2Y2J
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![BU of 2y2j by Molmil](/molmil-images/mine/2y2j) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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7XZ6
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![BU of 7xz6 by Molmil](/molmil-images/mine/7xz6) | GPR119-Gs-APD668 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-06-02 | Release date: | 2022-08-24 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. Nat.Struct.Mol.Biol., 29, 2022
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7XW5
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![BU of 7xw5 by Molmil](/molmil-images/mine/7xw5) | TSHR-thyroid stimulating hormone-Gs-ML109 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Glycoprotein hormones alpha chain, ... | Authors: | Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E. | Deposit date: | 2022-05-26 | Release date: | 2022-08-24 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Hormone- and antibody-mediated activation of the thyrotropin receptor. Nature, 609, 2022
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7L9G
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![BU of 7l9g by Molmil](/molmil-images/mine/7l9g) | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2, ... | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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2XYR
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![BU of 2xyr by Molmil](/molmil-images/mine/2xyr) | Crystal structure of the nsp16 nsp10 SARS coronavirus complex | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | Authors: | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | Deposit date: | 2010-11-18 | Release date: | 2011-10-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex. Plos Pathog., 7, 2011
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2XOE
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![BU of 2xoe by Molmil](/molmil-images/mine/2xoe) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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7LFR
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![BU of 7lfr by Molmil](/molmil-images/mine/7lfr) | Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with spermine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Proepiregulin, ... | Authors: | Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A. | Deposit date: | 2021-01-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias. Nature, 602, 2022
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2XZP
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![BU of 2xzp by Molmil](/molmil-images/mine/2xzp) | Upf1 helicase | Descriptor: | GLYCEROL, MALONATE ION, REGULATOR OF NONSENSE TRANSCRIPTS 1 | Authors: | Chakrabarti, S, Jayachandran, U, Bonneau, F, Fiorini, F, Basquin, C, Domcke, S, Le Hir, H, Conti, E. | Deposit date: | 2010-11-26 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular Mechanisms for the RNA-Dependent ATPase Activity of Upf1 and its Regulation by Upf2. Mol.Cell, 41, 2011
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7LPX
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![BU of 7lpx by Molmil](/molmil-images/mine/7lpx) | Crystal Structure of HIV-1 RT in Complex with NBD-14270 | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | Authors: | Losada, N, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-12 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
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7LQU
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![BU of 7lqu by Molmil](/molmil-images/mine/7lqu) | Crystal Structure of HIV-1 RT in Complex with NBD-14075 | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | Authors: | Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E. | Deposit date: | 2021-02-15 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
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4U9M
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![BU of 4u9m by Molmil](/molmil-images/mine/4u9m) | |
2XRM
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![BU of 2xrm by Molmil](/molmil-images/mine/2xrm) | Processed Intracellular subtilisin from B. clausii | Descriptor: | CALCIUM ION, INTRACELLULAR SUBTILISIN PROTEASE, PENTAETHYLENE GLYCOL, ... | Authors: | Gamble, M, Kunze, G, Dodson, E.J, Jones, D.D, Wilson, K.S. | Deposit date: | 2010-09-20 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Regulation of an Intracellular Subtilisin Protease Activity by a Short Propeptide Sequence Through an Original Combined Dual Mechanism. Proc.Natl.Acad.Sci.USA, 108, 2011
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2Y2H
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![BU of 2y2h by Molmil](/molmil-images/mine/2y2h) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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7LPW
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![BU of 7lpw by Molmil](/molmil-images/mine/7lpw) | Crystal Structure of HIV-1 RT in Complex with NBD-14189 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ... | Authors: | Losada, N, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-12 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
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2XF0
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![BU of 2xf0 by Molmil](/molmil-images/mine/2xf0) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2XFX
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![BU of 2xfx by Molmil](/molmil-images/mine/2xfx) | cattle MHC class I N01301 presenting an 11mer from Theileria parva | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS 1, UNCHARACTERIZED PROTEIN | Authors: | Macdonald, I.K, Harkiolaki, M, Hunt, L, Morrison, W.I, Connelley, T, Graham, S.P, Jones, E.Y, Flower, D.R, Ellis, S.A. | Deposit date: | 2010-05-28 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mhc Class I Bound to an Immunodominant Theileria Parva Epitope Demonstrates Unconventional Presentation to T Cell Receptors. Plos Pathog., 6, 2010
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7LXF
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4UZ3
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![BU of 4uz3 by Molmil](/molmil-images/mine/4uz3) | Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus bound to N-acetyl-chitohexaose | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Wong, J.E.M.M, Blaise, M. | Deposit date: | 2014-09-04 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase. Acta Crystallogr.,Sect.D, 71, 2015
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7LIA
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![BU of 7lia by Molmil](/molmil-images/mine/7lia) | |