5BV8
| G1324S mutation in von Willebrand Factor A1 domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, von Willebrand factor | Authors: | Campbell, J.C, Kim, C, Tischer, A, Auton, M. | Deposit date: | 2015-06-04 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Mutational Constraints on Local Unfolding Inhibit the Rheological Adaptation of von Willebrand Factor. J.Biol.Chem., 291, 2016
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5BU9
| Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333 | Descriptor: | Beta-N-acetylhexosaminidase, GLYCEROL | Authors: | Chang, C, Tan, K, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333 To Be Published
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5BRA
| Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188 (Oant_2843, TARGET EFI-511085) | Descriptor: | Putative periplasmic binding protein with substrate ribose | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-05-30 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.971 Å) | Cite: | Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188(Oant_2843, TARGET EFI-511085) To be published
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5BS2
| Crystal structure of RbcX-IIa from Chlamydomonas reinhardtii in complex with RbcL C-terminal tail | Descriptor: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase large chain,CrRbcX-IIa | Authors: | Bracher, A, Hauser, T, Liu, C, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2015-06-01 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Analysis of the Rubisco-Assembly Chaperone RbcX-II from Chlamydomonas reinhardtii. Plos One, 10, 2015
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5BKQ
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5BKN
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5BKL
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5ARF
| SMYD2 in complex with small molecule inhibitor compound-2 | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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5ANS
| Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5ANT
| Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | Descriptor: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5BY8
| The structure of Rpf2-Rrs1 explains its role in ribosome biogenesis | Descriptor: | Rpf2, Rrs1 | Authors: | Kharde, S, Calvino, F.R, Gumiero, A, Wild, K, Sinning, I. | Deposit date: | 2015-06-10 | Release date: | 2015-07-08 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.515 Å) | Cite: | The structure of Rpf2-Rrs1 explains its role in ribosome biogenesis. Nucleic Acids Res., 43, 2015
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5BWM
| The complex structure of C3cer exoenzyme and GDP bound RhoA (NADH-bound state) | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADP-ribosyltransferase, ... | Authors: | Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H. | Deposit date: | 2015-06-08 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure. J.Biol.Chem., 290, 2015
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5BX3
| Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5C04
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5C17
| Crystal structure of the mercury-bound form of MerB2 | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ... | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2015-06-13 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry, 55, 2016
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5BX0
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5BXB
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5C0P
| The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ... | Authors: | Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-06-12 | Release date: | 2015-07-01 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 To Be Published
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5C7C
| Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C89
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5CBU
| Human Cyclophilin D Complexed with Inhibitor. | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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8OFA
| Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-03-14 | Release date: | 2023-11-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8I67
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I61
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I69
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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