4DHR
 
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4LTM
 | | Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN complex | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, SULFATE ION | | Authors: | Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
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3O1F
 | | P1 crystal form of E. coli ClpS at 1.4 A resolution | | Descriptor: | ATP-dependent Clp protease adapter protein clpS | | Authors: | Roman-Hernandez, G, Hou, J.Y, Grant, R.A, Sauer, R.T, Baker, T.A. | | Deposit date: | 2010-07-21 | | Release date: | 2011-07-27 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The ClpS Adaptor Mediates Staged Delivery of N-End Rule Substrates to the AAA+ ClpAP Protease.
Mol.Cell, 43, 2011
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8S9Z
 | | Mpro inhibitors of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
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4DXF
 | | Crystal structure of Staphylococcal Superantigen-Like protein 4 | | Descriptor: | CHLORIDE ION, GLYCEROL, Staphylococcal enterotoxin-like toxin | | Authors: | Hermans, S.J, Baker, H.M, Langley, R.J, Baker, E.N, Fraser, J.F. | | Deposit date: | 2012-02-27 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional properties of staphylococcal superantigen-like protein 4
Infect.Immun., 80, 2012
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8SLV
 | | Structure of a salivary alpha-glucosidase from the mosquito vector Aedes aegypti. | | Descriptor: | 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gittis, A.G, Williams, A.E, Garboczi, D, Calvo, E. | | Deposit date: | 2023-04-24 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus.
Insect Biochem.Mol.Biol., 167, 2024
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4MJV
 | | Influenza Neuraminidase in complex with a novel antiviral compound | | Descriptor: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S. | | Deposit date: | 2013-09-04 | | Release date: | 2014-01-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4MJ5
 | | Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ... | | Authors: | Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F. | | Deposit date: | 2013-09-03 | | Release date: | 2014-10-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
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4L2C
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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3OA1
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4DXG
 | | Crystal structure of Staphylococcal Superantigen-Like protein 4 complexed with sialyl Lewis X | | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | Authors: | Hermans, S.J, Baker, H.M, Langley, R.J, Baker, E.N, Fraser, J.F. | | Deposit date: | 2012-02-27 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional properties of staphylococcal superantigen-like protein 4
Infect.Immun., 80, 2012
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4L1L
 | | Rat PKC C2 domain bound to CD | | Descriptor: | CADMIUM ION, Protein kinase C alpha type, SULFATE ION | | Authors: | Morales, K.M, Yang, Y, Long, Z, Li, P, Taylor, A.B, Hart, P.J, Igumenova, T.I. | | Deposit date: | 2013-06-03 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cd(2+) as a ca(2+) surrogate in protein-membrane interactions: isostructural but not isofunctional.
J.Am.Chem.Soc., 135, 2013
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4L55
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4LEY
 | | Structure of mouse cGAS bound to 18 bp DNA | | Descriptor: | 18 bp dsDNA, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Li, P. | | Deposit date: | 2013-06-26 | | Release date: | 2013-12-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
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8FDB
 | | CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 A RESOLUTION. | | Descriptor: | 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLYCEROL, Glutamine-fructose-6-phosphate transaminase (Isomerizing), ... | | Authors: | Rodriguez-Romero, A, Rodriguez-Hernandez, A, Marcos-Viquez, J, Bustos-Jaimes, I. | | Deposit date: | 2022-12-02 | | Release date: | 2023-05-17 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
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8FO0
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to a partially cleaved SAM molecule | | Descriptor: | IRON/SULFUR CLUSTER, POTASSIUM ION, Pyruvate formate-lyase 1-activating enzyme, ... | | Authors: | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | Deposit date: | 2022-12-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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8FOL
 | | The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM, alternate crystal form | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | Authors: | Moody, J.D, Saxton, A.J, Galambas, A, Lawrence, C.M, Broderick, J.B. | | Deposit date: | 2022-12-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
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4LNM
 | | Structure of Escherichia coli Threonine Aldolase in Complex with Serine | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
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3FHP
 | | A neutron crystallographic analysis of a porcine 2Zn insulin at 2.0 A resolution | | Descriptor: | Insulin, ZINC ION | | Authors: | Iwai, W, Kurihara, K, Yamada, T, Kobayashi, Y, Ohnishi, Y, Tanaka, I, Takahashi, H, Niimura, N. | | Deposit date: | 2008-12-09 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | A neutron crystallographic analysis of T6 porcine insulin at 2.1 A resolution
Acta Crystallogr.,Sect.D, 65, 2009
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4DTB
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8FP5
 | | CDK2 liganded with ATP and Mg2+ | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-04 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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8RRP
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4LI3
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4MJ6
 | | Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ... | | Authors: | Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F. | | Deposit date: | 2013-09-03 | | Release date: | 2014-10-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
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