1KR2
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![BU of 1kr2 by Molmil](/molmil-images/mine/1kr2) | CRYSTAL STRUCTURE OF HUMAN NMN/NAMN ADENYLYL TRANSFERASE COMPLEXED WITH TIAZOFURIN ADENINE DINUCLEOTIDE (TAD) | Descriptor: | BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | Authors: | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase.
Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin. J.Biol.Chem., 277, 2002
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6F2K
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![BU of 6f2k by Molmil](/molmil-images/mine/6f2k) | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM potassium phosphate monobasic. | Descriptor: | CHLORIDE ION, Lysozyme C, TERBIUM(III) ION | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2017-11-24 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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1MXI
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![BU of 1mxi by Molmil](/molmil-images/mine/1mxi) | Structure of YibK from Haemophilus influenzae (HI0766): a Methyltransferase with a Cofactor Bound at a Site Formed by a Knot | Descriptor: | Hypothetical tRNA/rRNA methyltransferase HI0766, IODIDE ION, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Lim, K, Zhang, H, Tempczyk, A, Bonander, N, Toedt, J, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2002-10-02 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the YibK methyltransferase from Haemophilus influenzae (HI0766): a Cofactor Bound at a Site Formed by a Knot Proteins, 51, 2003
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3IPU
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![BU of 3ipu by Molmil](/molmil-images/mine/3ipu) | X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha | Descriptor: | 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | Deposit date: | 2009-08-18 | Release date: | 2010-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling. J.Mol.Biol., 399, 2010
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3IG4
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![BU of 3ig4 by Molmil](/molmil-images/mine/3ig4) | Structure of a putative aminopeptidase P from Bacillus anthracis | Descriptor: | MANGANESE (II) ION, SULFATE ION, Xaa-pro aminopeptidase | Authors: | Anderson, S.M, Wawrzak, Z, Skarina, T, Onopriyenko, O, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-27 | Release date: | 2009-08-04 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of a putative aminopeptidase P from Bacillus anthracis To be Published
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3IR4
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![BU of 3ir4 by Molmil](/molmil-images/mine/3ir4) | 1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutaredoxin 2, ... | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Halavaty, A, Dauter, Z, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-21 | Release date: | 2009-09-01 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione. TO BE PUBLISHED
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4C66
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![BU of 4c66 by Molmil](/molmil-images/mine/4c66) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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1KFA
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![BU of 1kfa by Molmil](/molmil-images/mine/1kfa) | Crystal structure of Fab fragment complexed with gibberellin A4 | Descriptor: | GIBBERELLIN A4, monoclonal antibody heavy chain, monoclonal antibody light chain | Authors: | Murata, T, Fushinobu, S, Nakajima, M, Asami, O, Sassa, T, Wakagi, T, Yamaguchi, I. | Deposit date: | 2001-11-20 | Release date: | 2002-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the liganded anti-gibberellin A(4) antibody 4-B8(8)/E9 Fab fragment. Biochem.Biophys.Res.Commun., 293, 2002
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3IJW
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![BU of 3ijw by Molmil](/molmil-images/mine/3ijw) | Crystal structure of BA2930 in complex with CoA | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-05 | Release date: | 2009-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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6F1G
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![BU of 6f1g by Molmil](/molmil-images/mine/6f1g) | The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose | Descriptor: | CALCIUM ION, Intracellular endo-alpha-(1->5)-L-arabinanase, SULFATE ION, ... | Authors: | Lansky, S, Shwartshtien, O, Salama, R, Shoham, Y, Shoham, G. | Deposit date: | 2017-11-21 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose To Be Published
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6F2M
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![BU of 6f2m by Molmil](/molmil-images/mine/6f2m) | Structure of the bacteriophage T5 distal tail protein pb9 co-crystallized with 10mM Tb-Xo4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Distal tail protein, ... | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Breyton, C, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2017-11-24 | Release date: | 2018-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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1KN0
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![BU of 1kn0 by Molmil](/molmil-images/mine/1kn0) | Crystal Structure of the human Rad52 protein | Descriptor: | Rad52 | Authors: | Kagawa, W, Kurumizaka, H, Ishitani, R, Fukai, S, Nureki, O, Shibata, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-12-18 | Release date: | 2002-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of the homologous-pairing domain from the human Rad52 recombinase in the undecameric form. Mol.Cell, 10, 2002
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6F7B
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![BU of 6f7b by Molmil](/molmil-images/mine/6f7b) | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | Descriptor: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | Authors: | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | Deposit date: | 2017-12-08 | Release date: | 2018-12-19 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25, 2019
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3GII
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![BU of 3gii by Molmil](/molmil-images/mine/3gii) | Dpo4 extension ternary complex with disordered A opposite an oxoG in anti conformation | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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3GIL
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![BU of 3gil by Molmil](/molmil-images/mine/3gil) | Dpo4 extension ternary complex with oxoG(anti)-T(anti) pair | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DT))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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6FD2
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![BU of 6fd2 by Molmil](/molmil-images/mine/6fd2) | Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine | Descriptor: | 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ... | Authors: | Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y. | Deposit date: | 2017-12-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility. J. Am. Chem. Soc., 140, 2018
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6F59
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![BU of 6f59 by Molmil](/molmil-images/mine/6f59) | Crystal structure of human Brachyury (T) G177D variant in complex with DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ... | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-12-01 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Crystal structure of human Brachyury (T) G177D variant in complex with DNA To Be Published
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6F5H
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![BU of 6f5h by Molmil](/molmil-images/mine/6f5h) | Crystal structure of USP7 in complex with a 4-hydroxypiperidine based inhibitor | Descriptor: | 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H, Feutron-Burton, S, Rountree, J.S.S. | Deposit date: | 2017-12-01 | Release date: | 2018-04-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors. ACS Med Chem Lett, 9, 2018
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1KGD
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![BU of 1kgd by Molmil](/molmil-images/mine/1kgd) | Crystal Structure of the Guanylate Kinase-like Domain of Human CASK | Descriptor: | FORMIC ACID, PERIPHERAL PLASMA MEMBRANE CASK | Authors: | Li, Y, Spangenberg, O, Paarmann, I, Konrad, M, Lavie, A. | Deposit date: | 2001-11-26 | Release date: | 2001-12-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.314 Å) | Cite: | Structural basis for nucleotide-dependent regulation of membrane-associated guanylate kinase-like domains. J.Biol.Chem., 277, 2002
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6ESQ
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![BU of 6esq by Molmil](/molmil-images/mine/6esq) | Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA | Descriptor: | CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ... | Authors: | Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T. | Deposit date: | 2017-10-24 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1IJ8
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![BU of 1ij8 by Molmil](/molmil-images/mine/1ij8) | CRYSTAL STRUCTURE OF LITE AVIDIN-BNI COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, AVIDIN | Authors: | Livnah, O, Huberman, T. | Deposit date: | 2001-04-25 | Release date: | 2001-09-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chicken avidin exhibits pseudo-catalytic properties. Biochemical, structural, and electrostatic consequences. J.Biol.Chem., 276, 2001
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6F9M
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![BU of 6f9m by Molmil](/molmil-images/mine/6f9m) | The LIPY/F-motif in an intracellular subtilisin protease is involved in inhibition | Descriptor: | ACETATE ION, SODIUM ION, Serine protease, ... | Authors: | Bjerga, G.E.K, Larsen, O, Arsin, H, Williamson, A.K, Garcia-Moyano, A, Leiros, I, Puntervoll, P. | Deposit date: | 2017-12-14 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Mutational analysis of the pro-peptide of a marine intracellular subtilisin protease supports its role in inhibition. Proteins, 86, 2018
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1IT8
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![BU of 1it8 by Molmil](/molmil-images/mine/1it8) | Crystal structure of archaeosine tRNA-guanine transglycosylase from Pyrococcus horikoshii complexed with archaeosine precursor, preQ0 | Descriptor: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, MAGNESIUM ION, ZINC ION, ... | Authors: | Ishitani, R, Nureki, O, Fukai, S, Kijimoto, T, Nameki, N, Watanabe, M, Kondo, H, Sekine, M, Okada, N, Nishimura, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-01-11 | Release date: | 2002-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of archaeosine tRNA-guanine transglycosylase. J.Mol.Biol., 318, 2002
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3H47
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![BU of 3h47 by Molmil](/molmil-images/mine/3h47) | X-ray Structure of Hexameric HIV-1 CA | Descriptor: | Capsid protein p24 | Authors: | Pornillos, O. | Deposit date: | 2009-04-18 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of the hexameric building block of the HIV capsid. Cell(Cambridge,Mass.), 137, 2009
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6F36
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![BU of 6f36 by Molmil](/molmil-images/mine/6f36) | Polytomella Fo model | Descriptor: | Mitochondrial ATP synthase subunit 6, Mitochondrial ATP synthase subunit ASA6, Mitochondrial ATP synthase subunit c | Authors: | Yildiz, O, Kuehlbrandt, W, Klusch, N, Murphy, B.J, Mills, D.J. | Deposit date: | 2017-11-28 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of proton translocation and force generation in mitochondrial ATP synthase. Elife, 6, 2017
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