4TT2
 
 | | Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide | | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4K5Ac | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-19 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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2PMP
 | | Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from the isoprenoid biosynthetic pathway of Arabidopsis thaliana | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Calisto, B.M, Perez-Gil, J, Querol-Audi, J, Fita, I, Imperial, S. | | Deposit date: | 2007-04-23 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biosynthesis of isoprenoids in plants: Structure of the 2C-methyl-D-erithrytol 2,4-cyclodiphosphate synthase from Arabidopsis thaliana. Comparison with the bacterial enzymes.
Protein Sci., 16, 2007
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2WID
 | | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | | 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: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 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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6PKS
 | | MicroED structure of proteinase K from low-dose merged lamellae that were not pre-coated with platinum 2.16A resolution (LD) | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | | Deposit date: | 2019-06-29 | | Release date: | 2019-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.16 Å) | | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED.
Structure, 27, 2019
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3GF5
 | | Crystal structure of the P21 R1-R7 N-terminal domain of murine MVP | | Descriptor: | GLYCEROL, Major vault protein | | Authors: | Querol-Audi, J, Casanas, A, Luque, D, Caston, J.R, Fita, I, Verdaguer, N. | | Deposit date: | 2009-02-26 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP
Embo J., 28, 2009
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3GGU
 | | HIV PR drug resistant patient's variant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Saskova, K.G, Brynda, J, Rezacova, P. | | Deposit date: | 2009-03-02 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
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2PGX
 | | Crystal structure of UPF0341 protein yhiQ from E. coli, Northeast Structural Genomics Target ER585 | | Descriptor: | UPF0341 protein yhiQ | | Authors: | Forouhar, F, Su, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-04-10 | | Release date: | 2007-04-24 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of UPF0341 protein yhiQ from Escherichia coli.
To be Published
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2PH5
 | | Crystal structure of the homospermidine synthase hss from Legionella pneumophila in complex with NAD, Northeast Structural Genomics Target LgR54 | | Descriptor: | Homospermidine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Forouhar, F, Hussain, M, Seetharaman, J, Fang, Y, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Owens, L, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-04-10 | | Release date: | 2007-05-15 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the homospermidine synthase hss from Legionella pneumophila in complex with NAD.
To be Published
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6PPK
 | | RbgA+45SRbgA complex | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Ortega, J. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate.
Nucleic Acids Res., 47, 2019
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8BOD
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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7U1P
 | | RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | | Deposit date: | 2022-02-21 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
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8BOI
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | | Descriptor: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BLT
 | | Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with taurocholate (TCA) | | Descriptor: | Bile salt hydrolase, TAUROCHOLIC ACID | | Authors: | Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses.
Structure, 31, 2023
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8BOM
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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4IT1
 | | Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate | | Descriptor: | BICARBONATE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-17 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Enolase Pfl01_3283 from Pseudomonas Fluorescens
To be Published
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7TW9
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8BOK
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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7TW8
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6PFS
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7TW7
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4ISD
 | | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione
TO BE PUBLISHED
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1JIU
 | | T4 Phage BGT in Complex with Mg2+ : Form I | | Descriptor: | DNA BETA-GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Morera, S, Lariviere, L, Kurzeck, J, Aschke-Sonnenborn, U, Freemont, P.S, Janin, J, Ruger, W. | | Deposit date: | 2001-07-03 | | Release date: | 2001-08-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High resolution crystal structures of T4 phage beta-glucosyltransferase: induced fit and effect of substrate and metal binding.
J.Mol.Biol., 311, 2001
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3TRK
 | | Structure of the Chikungunya virus nsP2 protease | | Descriptor: | Nonstructural polyprotein, SODIUM ION | | Authors: | Cheung, J, Franklin, M, Mancia, F, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Structure of the Chikungunya virus nsP2 protease
To be Published
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1JBO
 | | The 1.45A Three-Dimensional Structure of c-Phycocyanin from the Thermophylic Cyanobacterium Synechococcus elongatus | | Descriptor: | C-Phycocyanin alpha chain, C-Phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Nield, J, Rizkallah, P.J, Barber, J, Chayen, N.E. | | Deposit date: | 2002-05-02 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The 1.45A three-dimensional structure of C-phycocyanin from the
thermophilic cyanobacterium Synechococcus elongatus
J.STRUCT.BIOL., 141, 2003
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8BOH
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8 | | Descriptor: | 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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