4MEW
 
 | | Structure of the core fragment of human PR70 | | Descriptor: | CALCIUM ION, GLYCEROL, Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit beta | | Authors: | Dovega, R.B, Quistgaard, E.M, Tsutakawa, S, Anandapadamanaban, M, Low, C, Nordlund, P. | | Deposit date: | 2013-08-27 | | Release date: | 2014-08-13 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Structural and Biochemical Characterization of Human PR70 in Isolation and in Complex with the Scaffolding Subunit of Protein Phosphatase 2A.
Plos One, 9, 2014
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3QTF
 | | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity | | Descriptor: | (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I. | | Deposit date: | 2011-02-22 | | Release date: | 2011-04-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5703 Å) | | Cite: | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
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4P4T
 | | GDP-bound stalkless-MxA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Interferon-induced GTP-binding protein Mx1, SULFATE ION | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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4P4S
 | | GMPPCP-bound stalkless-MxA | | Descriptor: | Interferon-induced GTP-binding protein Mx1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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2FFX
 | | Structure of Human Ferritin L. Chain | | Descriptor: | CADMIUM ION, SULFATE ION, ferritin light chain | | Authors: | Wang, Z.M, Li, C, Ellenburg, M.P, Soitsman, E.M, Ruble, J.R, Wright, B.S, Ho, J.X, Carter, D.C. | | Deposit date: | 2005-12-20 | | Release date: | 2006-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human ferritin L chain
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2FIC
 | | The crystal structure of the BAR domain from human Bin1/Amphiphysin II and its implications for molecular recognition | | Descriptor: | Myc box-dependent-interacting protein 1, XENON | | Authors: | Casal, E, Federici, L, Zhang, W, Fernandez-Recio, J, Priego, E.M, Miguel, R.N, Duhadaway, J.B, Prendergast, G.C, Luisi, B.F, Laue, E.D. | | Deposit date: | 2005-12-29 | | Release date: | 2006-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Crystal Structure of the BAR Domain from Human Bin1/Amphiphysin II and Its Implications for Molecular Recognition
Biochemistry, 45, 2006
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2FIT
 | | FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) | | Descriptor: | FRAGILE HISTIDINE PROTEIN, SULFATE ION, beta-D-fructofuranose | | Authors: | Lima, C.D, D'Amico, K.L, Naday, I, Rosenbaum, G, Westbrook, E.M, Hendrickson, W.A. | | Deposit date: | 1997-05-17 | | Release date: | 1997-11-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MAD analysis of FHIT, a putative human tumor suppressor from the HIT protein family.
Structure, 5, 1997
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2FLR
 | | Novel 5-Azaindole Factor VIIa Inhibitors | | Descriptor: | Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | | Authors: | Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B. | | Deposit date: | 2006-01-06 | | Release date: | 2007-01-23 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2JRQ
 | | NMR solution structure of the anticodon of E. coli TRNA-VAL3 with 1 modification (cmo5U34) | | Descriptor: | 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)P*AP*CP*AP*AP*GP*GP*AP*GP*G)-3' | | Authors: | Vendeix, F.A.P, Dziergowska, A, Gustilo, E.M, Graham, W.D, Sproat, B, Malkiewicz, A, Agris, P.F. | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Wobble-Position Modifications Pre-structure tRNA's Anticodon for Ribosome-Mediated Codon Binding
To be Published
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2JSG
 | | NMR solution structure of the anticodon of E.coli TRNA-VAL3 with 1 modification (M6A37) | | Descriptor: | 5'-R(*CP*CP*UP*CP*CP*CP*UP*UP*AP*CP*(6MZ)P*AP*GP*GP*AP*GP*G)-3' | | Authors: | Vendeix, F.A.P, Dziergowska, A, Gustilo, E.M, Graham, W.D, Sproat, B, Malkiewicz, A, Agris, P.F. | | Deposit date: | 2007-07-04 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Wobble-Position Modifications Pre-structure tRNA's Anticodon for Ribosome-Mediated Codon Binding
To be Published
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2JRG
 | | NMR solution structure of the anticodon of E. coli TRNA-VAL3 with 2 modifications (cmo5U34 M6A37) | | Descriptor: | 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)P*AP*CP*(6MZ)P*AP*GP*GP*AP*GP*G)-3' | | Authors: | Vendeix, F.A, Dziergowska, A, Gustilo, E.M, Graham, W.D, Sproat, B, Malkiewicz, A, Agris, P.F. | | Deposit date: | 2007-06-26 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Anticodon domain modifications contribute order to tRNA for ribosome-mediated codon binding.
Biochemistry, 47, 2008
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2DRM
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2JEK
 | | Crystal structure of the conserved hypothetical protein Rv1873 from Mycobacterium tuberculosis at 1.38 A | | Descriptor: | GLYCEROL, RV1873, SULFATE ION | | Authors: | Garen, C.R, Cherney, M.M, Bergmann, E.M, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-01-17 | | Release date: | 2007-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The Molecular Structure of Rv1873, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis, at 1.38A Resolution
Acta Crystallogr.,Sect.F, 62, 2006
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2JCR
 | | The hyaluronan binding domain of murine CD44 in a Type B complex with an HA 8-mer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD44 ANTIGEN, GLYCEROL | | Authors: | Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G. | | Deposit date: | 2007-01-03 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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2FT3
 | | Crystal structure of the biglycan dimer core protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Biglycan, CITRATE ANION | | Authors: | Scott, P.G, Dodd, C.M, Bergmann, E.M. | | Deposit date: | 2006-01-23 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure of the Biglycan Dimer and Evidence That Dimerization Is Essential for Folding and Stability of Class I Small Leucine-rich Repeat Proteoglycans.
J.Biol.Chem., 281, 2006
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5I66
 | | X-ray structure of the Fab fragment of 8B6, a murine monoclonal antibody specific for the human serotonin transporter | | Descriptor: | 8B6 antibody, heavy chain, light chain | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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5I75
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site | | Descriptor: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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7Z9I
 | | ATAD2 in complex with PepLite-Ala | | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7Z9U
 | | ATAD2 in complex with Acetyl-Lys | | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZAA
 | | BRD4 in complex with FragLite11 | | Descriptor: | GLYCEROL, Isoform C of Bromodomain-containing protein 4, ~{N}-(4-bromophenyl)ethanamide | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZAJ
 | | BRD4 in complex with FragLite16 | | Descriptor: | 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZAT
 | | BRD4 in complex with FragLite20 | | Descriptor: | 4-bromanyl-2-(methoxymethyl)pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7Z04
 | | 10 mM Rb+ soak of beryllium fluoride inhibited Na+,K+-ATPase, E2-BeFx (rigid body model) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, FXYD domain-containing ion transport regulator, MAGNESIUM ION, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shasavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-02-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (7.5 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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7Z9N
 | | ATAD2 in complex with PepLite-Val | | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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