4UX6
 
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | Deposit date: | 2014-08-19 | | Release date: | 2014-10-08 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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4UWT
 | | Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ... | | Authors: | Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J. | | Deposit date: | 2014-08-14 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
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6L05
 | | Crystal structure of uPA_H99Y in complex with 50F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 50F
To Be Published
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6L04
 | | Crystal structure of uPA_H99Y in complex with 31F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 31F
To Be Published
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8CPL
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8CPR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A G13D open-state-selective anti-KRAS antibody shows in vivo anti-cancer activity
To Be Published
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9F40
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | | Descriptor: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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8P43
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9F41
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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7OC8
 | | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | | Deposit date: | 2021-04-26 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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7O46
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 | | Descriptor: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5 | | Authors: | Talibov, V.O. | | Deposit date: | 2021-04-05 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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7NYT
 | | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | Authors: | Haataja, T, Sandgren, M, Stahlberg, J. | | Deposit date: | 2021-03-23 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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5J0G
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8 | | Descriptor: | OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | | Deposit date: | 2016-03-28 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
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5J07
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | | Deposit date: | 2016-03-27 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
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5J0C
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | | Deposit date: | 2016-03-28 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
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5I4Z
 | | Structure of apo OmoMYC | | Descriptor: | CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ... | | Authors: | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | | Deposit date: | 2016-02-13 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
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5I50
 | | Structure of OmoMYC bound to double-stranded DNA | | Descriptor: | DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein | | Authors: | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | | Deposit date: | 2016-02-13 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
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2MYW
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2MYV
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4XJC
 | | dCTP deaminase-dUTPase from Bacillus halodurans | | Descriptor: | DI(HYDROXYETHYL)ETHER, Deoxycytidine triphosphate deaminase, MAGNESIUM ION, ... | | Authors: | Oehlenschlaeger, C, Loevgreen, M, Willemoes, M, Harris, P. | | Deposit date: | 2015-01-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Bacillus halodurans Strain C125 Encodes and Synthesizes Enzymes from Both Known Pathways To Form dUMP Directly from Cytosine Deoxyribonucleotides.
Appl.Environ.Microbiol., 81, 2015
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4XE5
 | | Crystal structure of the Na,K-ATPase from bovine | | Descriptor: | CHOLESTEROL, MAGNESIUM ION, OUABAIN, ... | | Authors: | Gregersen, J.L, Mattle, D, Fedosova, N.U, Nissen, P, Reinhard, L. | | Deposit date: | 2014-12-22 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.901 Å) | | Cite: | Isolation, crystallization and crystal structure determination of bovine kidney Na(+),K(+)-ATPase.
Acta Crystallogr.,Sect.F, 72, 2016
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4XCR
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | | Deposit date: | 2014-12-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.602 Å) | | Cite: | Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4XQ7
 | | The crystal structure of the OAS-like domain (OLD) of human OASL | | Descriptor: | 2'-5'-oligoadenylate synthase-like protein | | Authors: | Ibsen, M.S, Gad, H.H, Andersen, L.L, Hornung, V, Julkunen, I, Sarkar, S.N, Hartmann, R. | | Deposit date: | 2015-01-19 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional analysis reveals that human OASL binds dsRNA to enhance RIG-I signaling.
Nucleic Acids Res., 43, 2015
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4XW2
 | | Structural basis for simvastatin competitive antagonism of complement receptor 3 | | Descriptor: | Integrin alpha-M, MAGNESIUM ION, Simvastatin acid | | Authors: | Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R. | | Deposit date: | 2015-01-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
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5FHO
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution | | Descriptor: | (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
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