3C3W
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![BU of 3c3w by Molmil](/molmil-images/mine/3c3w) | Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR | Descriptor: | SULFATE ION, TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR | Authors: | Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J. | Deposit date: | 2008-01-28 | Release date: | 2008-04-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation J.Mol.Biol., 378, 2008
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3LC0
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![BU of 3lc0 by Molmil](/molmil-images/mine/3lc0) | |
4WE1
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![BU of 4we1 by Molmil](/molmil-images/mine/4we1) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600) | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Gag-Pol polyprotein, MAGNESIUM ION, ... | Authors: | Frey, K.M, Anderson, K.S. | Deposit date: | 2014-09-09 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers. Acs Med.Chem.Lett., 5, 2014
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5OUG
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![BU of 5oug by Molmil](/molmil-images/mine/5oug) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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5OUI
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![BU of 5oui by Molmil](/molmil-images/mine/5oui) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017 | Descriptor: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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5OUH
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![BU of 5ouh by Molmil](/molmil-images/mine/5ouh) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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4TIM
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![BU of 4tim by Molmil](/molmil-images/mine/4tim) | |
7Y5C
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![BU of 7y5c by Molmil](/molmil-images/mine/7y5c) | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors. Antimicrob.Agents Chemother., 66, 2022
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7Y5D
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![BU of 7y5d by Molmil](/molmil-images/mine/7y5d) | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 3) (backbone) | Descriptor: | ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ... | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors. Antimicrob.Agents Chemother., 66, 2022
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7Y5A
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![BU of 7y5a by Molmil](/molmil-images/mine/7y5a) | Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | Authors: | Wong, C.F, Saw, W.-G, Grueber, G. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors. Antimicrob.Agents Chemother., 66, 2022
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7Y5B
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![BU of 7y5b by Molmil](/molmil-images/mine/7y5b) | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors. Antimicrob.Agents Chemother., 66, 2022
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6LIG
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![BU of 6lig by Molmil](/molmil-images/mine/6lig) | |
5TQU
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![BU of 5tqu by Molmil](/molmil-images/mine/5tqu) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor | Descriptor: | 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-10-24 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis. ACS Infect Dis, 3, 2017
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3SIL
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![BU of 3sil by Molmil](/molmil-images/mine/3sil) | SIALIDASE FROM SALMONELLA TYPHIMURIUM | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Garman, E.F, Sheldrick, G.M. | Deposit date: | 1998-07-07 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | An Enzyme at Atomic Resolution: The 1.05 A Structure of Salmonella Typhimurium Neuraminidase (Sialidase) To be Published
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7MU5
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![BU of 7mu5 by Molmil](/molmil-images/mine/7mu5) | Human DCTPP1 bound to Triptolide | Descriptor: | MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide | Authors: | Hauk, G, Berger, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance To Be Published
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6TIM
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![BU of 6tim by Molmil](/molmil-images/mine/6tim) | |
7LSW
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![BU of 7lsw by Molmil](/molmil-images/mine/7lsw) | Structure of Full Beta-Hairpin LIR from FNIP2 Bound to GABARAP | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION | Authors: | Appleton, B.A. | Deposit date: | 2021-02-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis. Sci Adv, 7, 2021
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7LT6
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![BU of 7lt6 by Molmil](/molmil-images/mine/7lt6) | Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein | Authors: | Appleton, B.A. | Deposit date: | 2021-02-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis. Sci Adv, 7, 2021
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6UFX
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![BU of 6ufx by Molmil](/molmil-images/mine/6ufx) | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | Descriptor: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | Authors: | Rietz, T.A, Fesik, S.W, Zhao, B. | Deposit date: | 2019-09-25 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
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6UCS
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![BU of 6ucs by Molmil](/molmil-images/mine/6ucs) | |
4MX9
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![BU of 4mx9 by Molmil](/molmil-images/mine/4mx9) | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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3CHB
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![BU of 3chb by Molmil](/molmil-images/mine/3chb) | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLERA TOXIN, UNKNOWN ATOM OR ION, ... | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 1998-03-24 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site. J.Mol.Biol., 282, 1998
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2H9X
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![BU of 2h9x by Molmil](/molmil-images/mine/2h9x) | NMR structure for the CgNa toxin from the sea anemone Condylactis gigantea | Descriptor: | Toxin CgNa | Authors: | Lopez-Mendez, B, Perez-Castells, J, Gimenez-Gallego, G, Jimenez-Barbero, J. | Deposit date: | 2006-06-12 | Release date: | 2007-06-05 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | CgNa, a type I toxin from the giant Caribbean sea anemone Condylactis gigantea shows structural similarities to both type I and II toxins, as well as distinctive structural and functional properties(1). Biochem.J., 406, 2007
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1MD2
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![BU of 1md2 by Molmil](/molmil-images/mine/1md2) | CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013 | Descriptor: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ... | Authors: | Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E. | Deposit date: | 2002-08-06 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin. J.Am.Chem.Soc., 124, 2002
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1MAF
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![BU of 1maf by Molmil](/molmil-images/mine/1maf) | |