4O5Y
 
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), POTASSIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
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7YGI
 | | Crystal structure of p53 DBD domain in complex with azurin | | Descriptor: | Azurin, Cellular tumor antigen p53, PHOSPHATE ION, ... | | Authors: | Jiang, W.X, Zuo, J.Q, Hu, J.J, Chen, X.Q, Ma, L.X, Liu, Z, Xing, Q. | | Deposit date: | 2022-07-11 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of bacterial effector protein azurin targeting tumor suppressor p53 and inhibiting its ubiquitination.
Commun Biol, 6, 2023
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7XQ7
 | | The complex structure of WT-Mpro | | Descriptor: | 3C-like proteinase nsp5, SODIUM ION | | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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4NZD
 | | Interleukin 21 receptor | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-21 receptor, ... | | Authors: | Hamming, O.T, Kang, L, Siupka, P, Gad, H.H, Hartmann, R. | | Deposit date: | 2013-12-12 | | Release date: | 2014-12-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Interleukin 21 receptor structure and function
To be Published
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7Y94
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6G0X
 | | TAILSPIKE PROTEIN OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Seckler, R, Barbirz, S. | | Deposit date: | 2018-03-20 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
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6G4O
 | | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1 | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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1V0H
 | | ASCOBATE PEROXIDASE FROM SOYBEAN CYTOSOL IN COMPLEX WITH SALICYLHYDROXAMIC ACID | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SALICYLHYDROXAMIC ACID, ... | | Authors: | Sharp, K.H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2004-03-29 | | Release date: | 2004-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal Structure of the Ascorbate Peroxidase-Salicylhydroxamic Acid Complex
Biochemistry, 43, 2004
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7VUK
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6EO6
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ... | | Authors: | Dolot, R.M, Nawrot, B, Yang, X. | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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1VAU
 | | Xenon derivative of hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Takeda, K, Miyatake, H, Park, S.Y, Kawamoto, M, Kamiya, N, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-02-19 | | Release date: | 2005-03-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multi-wavelength anomalous diffraction method for I and Xe atoms using ultra-high-energy X-rays from SPring-8
J.Appl.Crystallogr., 37, 2004
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6FYU
 | | Structure of H7(A/Shanghai/2/2013) Influenza Hemagglutinin in complex SD36 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Laursen, N.S, Wilson, I.A. | | Deposit date: | 2018-03-12 | | Release date: | 2018-11-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.643 Å) | | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
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1UY1
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6FOA
 | | Human Xylosyltransferase 1 apo structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Briggs, D.C, Hohenester, E. | | Deposit date: | 2018-02-06 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.869 Å) | | Cite: | Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
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7Y52
 | | Crystal structure of peptidyl-tRNA hydrolase from Enterococcus faecium | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... | | Authors: | Pandey, R, Zohib, M, Mundra, S, Pal, R.K, Arora, A. | | Deposit date: | 2022-06-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Characterization of structure of peptidyl-tRNA hydrolase from Enterococcus faecium and its inhibition by a pyrrolinone compound.
Int.J.Biol.Macromol., 275, 2024
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6EO7
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, ... | | Authors: | Dolot, R.M, Nawrot, B, Yang, X. | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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6E7W
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4MMZ
 | | Integrin AlphaVBeta3 ectodomain bound to an antagonistic tenth domain of Fibronectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ... | | Authors: | van Agthoven, J, Xiong, J, Arnaout, M.A. | | Deposit date: | 2013-09-09 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin.
Nat.Struct.Mol.Biol., 21, 2014
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1TM7
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-10 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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6E57
 | | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Koropatkin, N.M, Schnizlein, M, Bahr, C.M.E. | | Deposit date: | 2018-07-19 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
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1SVE
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 | | Descriptor: | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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4O5X
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine. | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
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6EKU
 | | Vibrio cholerae neuraminidase complexed with zanamivir | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Schuetz, A, Heinemann, U. | | Deposit date: | 2017-09-27 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
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4HZX
 | | Crystal structure of influenza A neuraminidase N3 complexed with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, Q, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2012-11-15 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance.
J.Virol., 87, 2013
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1TO1
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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