3DBU
 
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | Descriptor: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | Deposit date: | 2008-06-02 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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3DD0
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | Deposit date: | 2008-06-04 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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3H7W
 | | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 | | Descriptor: | 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | | Deposit date: | 2009-04-28 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
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3H4J
 | | crystal structure of pombe AMPK KDAID fragment | | Descriptor: | SNF1-like protein kinase ssp2 | | Authors: | Chen, L, Jiao, Z.-H, Zheng, L.-S, Zhang, Y.-Y, Xie, S.-T, Wang, Z.-X, Wu, J.-W. | | Deposit date: | 2009-04-20 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insight into the autoinhibition mechanism of AMP-activated protein kinase
Nature, 459, 2009
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3H82
 | | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline | | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | | Deposit date: | 2009-04-28 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
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3HHU
 | | Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | | Descriptor: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2009-05-17 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
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4W6Y
 | | Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF9 | | Descriptor: | F18 fimbrial adhesin AC, Nanobody NbFedF9, SULFATE ION | | Authors: | Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
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4W9S
 | | 2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease | | Descriptor: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2014-08-27 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
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4W94
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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3QG6
 | | Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | | Descriptor: | AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ... | | Authors: | Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A. | | Deposit date: | 2011-01-24 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
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4UYM
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5L7Q
 | | Structure of deformed wing virus, a honeybee pathogen | | Descriptor: | VP1, vp2, vp3 | | Authors: | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | | Deposit date: | 2016-06-03 | | Release date: | 2017-03-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3QUG
 | | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | | Authors: | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2011-02-24 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
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4W5I
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
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4WBO
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4W6W
 | | Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF6 | | Descriptor: | F18 fimbrial adhesin AC, NbFedF6 | | Authors: | Moonens, K, De Kerpel, M, Annelies, C, Cox, E, Pardon, E, Remaut, H, De Greve, H. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
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4W6X
 | | Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF7 | | Descriptor: | F18 fimbrial adhesin AC, Nanobody NbFedF7 | | Authors: | Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
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4WD1
 | | Acetoacetyl-CoA Synthetase from Streptomyces lividans | | Descriptor: | 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION | | Authors: | Gulick, A.M, Mitchell, C.A. | | Deposit date: | 2014-09-05 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain.
Proteins, 83, 2015
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4WA9
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2WIG
 | | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | | Deposit date: | 2009-05-11 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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4UX4
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-19 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
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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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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4WHZ
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