3OPU
 
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3PL8
 | | Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tan, T.C, Divne, C. | | Deposit date: | 2010-11-14 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Regioselective control of Beta-d-glucose oxidation by pyranose 2-oxidase is intimately coupled to conformational degeneracy
J.Mol.Biol., 409, 2011
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3PIV
 | | Zebrafish interferon 1 | | Descriptor: | Interferon, NICKEL (II) ION | | Authors: | Hamming, O.J, Hartmann, R, Lutfalla, G, Levraud, J.-P. | | Deposit date: | 2010-11-08 | | Release date: | 2011-07-20 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.086 Å) | | Cite: | Crystal Structure of Zebrafish Interferons I and II Reveals Conservation of Type I Interferon Structure in Vertebrates.
J.Virol., 85, 2011
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3Q31
 | | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ... | | Authors: | Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L. | | Deposit date: | 2010-12-21 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae
To be Published
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2Q2Z
 | | Crystal Structure of KSP in Complex with Inhibitor 22 | | Descriptor: | 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Yan, Y. | | Deposit date: | 2007-05-29 | | Release date: | 2007-09-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
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3VHZ
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4E6A
 | | p38a-PIA23 complex | | Descriptor: | (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 | | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | | Deposit date: | 2012-03-15 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
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4EH3
 | | Human p38 MAP kinase in complex with NP-F2 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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3VI0
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2WKJ
 | | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121 | | Descriptor: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | | Authors: | Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R. | | Deposit date: | 2009-06-11 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009
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7LNW
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4E5B
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4EH6
 | | Human p38 MAP kinase in complex with NP-F5 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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3ZH5
 | | The structure of Haemophilus influenzae protein E | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PROTEIN E | | Authors: | Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M. | | Deposit date: | 2012-12-20 | | Release date: | 2013-03-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
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4EH7
 | | Human p38 MAP kinase in complex with NP-F6 and RL87 | | Descriptor: | (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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3ZLT
 | | Crystal structure of acetylcholinesterase in complex with RVX | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
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3ZBR
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H230S, crystallized with NADP | | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-11-13 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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3ZBZ
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, crystallized with 2'-AMPS | | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, 2'-O-(sulfidophosphinato)adenosine, ... | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-11-14 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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3ZBS
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, crystallized with 2'-AMPS | | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, 2'-O-(sulfidophosphinato)adenosine, ... | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-11-13 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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8Q18
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | | Descriptor: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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8Q19
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | | Descriptor: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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8Q1A
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor | | Descriptor: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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3ZSL
 | | Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature | | Descriptor: | GALECTIN-3 | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
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3ZLU
 | | Crystal structure of mouse acetylcholinesterase in complex with cyclosarin | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ACETYLCHOLINESTERASE | | Authors: | Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
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4EH5
 | | Human p38 MAP kinase in complex with NP-F4 and RL87 | | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | | Deposit date: | 2012-04-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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