7SHT
 
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3NC8
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3E62
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E6A
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3NHU
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3EAH
 | | Structure of inhibited human eNOS oxygenase domain | | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-25 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3ETJ
 | | Crystal structure E. coli Purk in complex with Mg, ADP, and Pi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HYDROGENPHOSPHATE ION, ... | | Authors: | Holden, H.M, Thoden, J.B. | | Deposit date: | 2008-10-08 | | Release date: | 2008-10-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis of the active site geometry of N(5)-Carboxyaminoimidazole ribonucleotide synthetase from Escherichia coli.
Biochemistry, 47, 2008
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3NO8
 | | Crystal structure of the PHR domain from human BTBD2 Protein | | Descriptor: | BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION | | Authors: | Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-06-24 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the PHR domain from human BTBD2 Protein
To be Published
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3NRO
 | | Crystal Structure of putative transcriptional factor Lmo1026 from Listeria monocytogenes (FRAGMENT 52-321), Northeast Structural Genomics Consortium Target LmR194 | | Descriptor: | Lmo1026 protein | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Northeast Structural Genomics Consortium Target LmR194
To be Published
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3NV7
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3EIT
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3NVZ
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3-Aldehyde | | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Cao, H, Hille, R. | | Deposit date: | 2010-07-08 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine.
Biochemistry, 53, 2014
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6YEN
 | | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.418 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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6YFI
 | | Bacteriophage EMS014 coat protein | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.248 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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3NZP
 | | Crystal Structure of the Biosynthetic Arginine decarboxylase SpeA from Campylobacter jejuni, Northeast Structural Genomics Consortium Target BR53 | | Descriptor: | Arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-07-16 | | Release date: | 2010-09-01 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of bacterial biosynthetic arginine decarboxylases.
Acta Crystallogr.,Sect.F, 66, 2010
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3ES2
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3ESO
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide | | Descriptor: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin | | Authors: | Connelly, S, Wilson, I.A. | | Deposit date: | 2008-10-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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3OAB
 | | Mint deletion mutant of heterotetrameric geranyl pyrophosphate synthase in complex with ligands | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | | Authors: | Hsieh, F.-L, Chang, T.-H, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2010-08-05 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enhanced specificity of mint geranyl pyrophosphate synthase by modifying the R-loop interactions
J.Mol.Biol., 404, 2010
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6YHN
 | | Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ... | | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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7PK5
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3OAZ
 | | A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity | | Descriptor: | CHLORIDE ION, Fab 2G12, heavy chain, ... | | Authors: | Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G. | | Deposit date: | 2010-08-06 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ENW
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3O6U
 | | Crystal Structure of CPE2226 protein from Clostridium perfringens. Northeast Structural Genomics Consortium Target CpR195 | | Descriptor: | uncharacterized protein CPE2226 | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-07-29 | | Release date: | 2010-08-11 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of CPE2226 protein from Clostridium perfringens.
To be Published
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6ONM
 | | Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate | | Descriptor: | (+)-limonene synthase, (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate, MANGANESE (II) ION | | Authors: | Prem Kumar, R, Morehouse, B.R, Yu, Q, Oprian, D.D. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Direct Evidence of an Enzyme-Generated LPP Intermediate in (+)-Limonene Synthase Using a Fluorinated GPP Substrate Analog.
Acs Chem.Biol., 14, 2019
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3NTI
 | | Crystal structure of Tudor and Aubergine [R15(me2s)] complex | | Descriptor: | Maternal protein tudor, peptide from Aubergine | | Authors: | Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M. | | Deposit date: | 2010-07-05 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
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