2AK3
 
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3IK7
 | | Human glutathione transferase a4-4 with GSDHN | | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A4, SULFATE ION | | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | | Deposit date: | 2009-08-05 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
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1F0G
 | | Cecropin A(1-8)-magainin 2(1-12) L2 in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1F0D
 | | Cecropin A(1-8)-magainin 2(1-12) in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1F0F
 | | Cecropin A(1-8)-magainin 2(1-12) gig deletion modification in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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2ATE
 | | Structure of the complex of PurE with NitroAIR | | Descriptor: | ((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1H-IMIDAZOL-1-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE, Phosphoribosylaminoimidazole carboxylase catalytic subunit | | Authors: | Kappock, T.J, Mathews, I.I, Zaugg, J.B, Peng, P, Hoskins, A.A, Okamoto, A, Ealick, S.E, Stubbe, J. | | Deposit date: | 2005-08-24 | | Release date: | 2006-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | N5-CAIR mutase: role of a CO2 binding site and substrate movement in catalysis.
Biochemistry, 46, 2007
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1K7V
 | | Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,6Galbeta1,4Glc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, agglutinin isolectin 3 | | Authors: | Muraki, M, Ishimura, M, Harata, K. | | Deposit date: | 2001-10-22 | | Release date: | 2002-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interactions of wheat-germ agglutinin with GlcNAc beta 1,6Gal sequence
Biochim.Biophys.Acta, 1569, 2002
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2OKB
 | | High Resolution Crystal Structures of Vaccinia Virus dUTPase | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Schormann, N, Chattopadhyay, D. | | Deposit date: | 2007-01-16 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
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4F6Z
 | | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | | Descriptor: | Beta-lactamase, CITRATE ANION, ZINC ION | | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2012-05-15 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site
Antimicrob.Agents Chemother., 56, 2012
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5RFO
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972 | | Descriptor: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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3D3Z
 | | Crystal structure of Actibind a T2 RNase | | Descriptor: | 1,2-ETHANEDIOL, 1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gonzalez, A, Almog, O. | | Deposit date: | 2008-05-13 | | Release date: | 2009-06-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structue of Actibind a T2 RNase
To be Published
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5RX8
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434884 | | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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3DR1
 | | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor | | Descriptor: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol, MAGNESIUM ION, SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1, ... | | Authors: | Sato, Y, Rochel, N, Moras, D. | | Deposit date: | 2008-07-10 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Superagonistic fluorinated vitamin D3 analogs stabilize helix 12 of the vitamin D receptor.
Chem.Biol., 15, 2008
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3UV5
 | | Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1 | | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-29 | | Release date: | 2012-01-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3DYO
 | | E. coli (lacZ) beta-galactosidase (H418N) in complex with IPTG | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Juers, D.H, Huber, R.E, Matthews, B.W. | | Deposit date: | 2008-07-28 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
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5RWY
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1259335913 | | Descriptor: | 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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4I7R
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3UQD
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ... | | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J. | | Deposit date: | 2011-11-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations.
Chem Sci, 10, 2019
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4JPJ
 | | Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | | Authors: | Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
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1GJG
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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2LYW
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3V4Y
 | | Crystal Structure of the first Nuclear PP1 holoenzyme | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Nuclear inhibitor of protein phosphatase 1, ... | | Authors: | Page, R, Peti, W, O'Connell, N.E, Nichols, S. | | Deposit date: | 2011-12-15 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | The Molecular Basis for Substrate Specificity of the Nuclear NIPP1:PP1 Holoenzyme.
Structure, 20, 2012
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3QJI
 | | Crystal structure of the complex of ribosome inactivating protein with 7-methylguanosine triphosphate at 1.75A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Ribosome inactivating protein | | Authors: | Kumar, M, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-01-29 | | Release date: | 2011-03-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the complex of ribosome inactivating protein with 7-methylguanosine triphosphate at 1.75A resolution
TO BE PUBLISHED
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3A32
 | | Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix | | Descriptor: | Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION | | Authors: | Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A. | | Deposit date: | 2009-06-07 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
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3QC4
 | | PDK1 in complex with DFG-OUT inhibitor xxx | | Descriptor: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | | Authors: | Arndt, J.W. | | Deposit date: | 2011-01-15 | | Release date: | 2011-04-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
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