4YJO
 
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000222 | | Descriptor: | 5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase SYK | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2015-03-03 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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4COD
 | | Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Encinas, L, OKeefe, H, Neu, M, Convery, M.A, McDowell, W, Mendoza-Losana, A, Pages, L.B, Castro-Pichel, J, Evindar, G. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha.
J.Med.Chem., 57, 2014
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3SRV
 | | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | | Descriptor: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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3O57
 | | Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | | Descriptor: | 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2010-07-28 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
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3O56
 | | Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | | Descriptor: | 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2010-07-28 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
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8CIX
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIY
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIZ
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | | Descriptor: | Beta sliding clamp, Mycoplanecin A | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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1FBX
 | | CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I | | Descriptor: | CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-17 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1FB1
 | | CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I | | Descriptor: | GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-14 | | Release date: | 2000-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1HPC
 | | REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE | | Descriptor: | 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid, H PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM, LIPOIC ACID | | Authors: | Pares, S, Cohen-Addad, C, Sieker, L, Neuburger, M, Douce, R. | | Deposit date: | 1994-02-17 | | Release date: | 1995-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refined structures at 2 and 2.2 A resolution of two forms of the H-protein, a lipoamide-containing protein of the glycine decarboxylase complex.
Acta Crystallogr.,Sect.D, 51, 1995
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1G9E
 | | SOLUTION STRUCTURE AND RELAXATION MEASUREMENTS OF AN ANTIGEN-FREE HEAVY CHAIN VARIABLE DOMAIN (VHH) FROM LLAMA | | Descriptor: | H14 | | Authors: | Renisio, J.-G, Perez, J, Czisch, M, Guenneugues, M, Bornet, O, Frenken, L, Cambillau, C, Darbon, H. | | Deposit date: | 2000-11-23 | | Release date: | 2002-10-23 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of an antigen-free heavy chain variable
domain (VHH) from Llama
Proteins, 47, 2002
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4CB8
 | | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha | | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
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1P0A
 | | NMR structure of ETD135, mutant of the antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | DEFENSIN ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1OZZ
 | | NMR structure of antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | defensin ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1P00
 | | NMR structure of ETD151, mutant of the antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | defensin ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1DXM
 | | Reduced form of the H protein from glycine decarboxylase complex | | Descriptor: | DIHYDROLIPOIC ACID, H PROTEIN | | Authors: | Faure, M, Cohen-Addad, C, Neuburger, M, Douce, R. | | Deposit date: | 2000-01-10 | | Release date: | 2000-07-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
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4IIK
 | | Legionella pneumophila effector | | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | | Deposit date: | 2012-12-20 | | Release date: | 2013-06-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD
Plos Pathog., 9, 2013
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4IIP
 | | Legionella pneumophila effector | | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL | | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | | Deposit date: | 2012-12-20 | | Release date: | 2013-06-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD
Plos Pathog., 9, 2013
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1KCP
 | | 3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES | | Descriptor: | KAPPA-CONOTOXIN PVIIA | | Authors: | Savarin, P, Guenneugues, M, Gilquin, B, Lamthanh, H, Gasparini, S, Zinn-Justin, S, Menez, A. | | Deposit date: | 1998-01-27 | | Release date: | 1998-10-14 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails.
Biochemistry, 37, 1998
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1DXL
 | | Dihydrolipoamide dehydrogenase of glycine decarboxylase from Pisum Sativum | | Descriptor: | DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Faure, M, Cohen-Addad, C, Bourguignon, J, Macherel, D, Neuburger, M, Douce, R. | | Deposit date: | 2000-01-10 | | Release date: | 2000-07-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
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1IHC
 | | X-ray Structure of Gephyrin N-terminal Domain | | Descriptor: | Gephyrin | | Authors: | Sola, M, Kneussel, M, Heck, I.S, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-04-21 | | Release date: | 2001-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystal structure of the trimeric N-terminal domain of gephyrin.
J.Biol.Chem., 276, 2001
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1D1N
 | | SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2 | | Descriptor: | INITIATION FACTOR 2 | | Authors: | Meunier, S, Spurio, S, Czisch, M, Wechselberger, R, Gueunneugues, M. | | Deposit date: | 1999-09-20 | | Release date: | 2000-09-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2.
EMBO J., 19, 2000
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1Q3J
 | | Solution structure of ALO3: a new knottin-type antifungal peptide from the insect Acrocinus longimanus | | Descriptor: | ALO3 | | Authors: | Barbault, F, Landon, C, Guenneugues, M, Meyer, J.P, Schott, V, Dimarrcq, J.L, Vovelle, F. | | Deposit date: | 2003-07-30 | | Release date: | 2003-12-23 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Alo-3: a new knottin-type antifungal peptide from the insect Acrocinus longimanus.
Biochemistry, 42, 2003
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1KJT
 | | Crystal Structure of the GABA(A) Receptor Associated Protein, GABARAP | | Descriptor: | GABARAP, NICKEL (II) ION, SODIUM ION | | Authors: | Bavro, V.N, Sola, M, Bracher, A, Kneussel, M, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the GABA(A)-receptor-associated protein, GABARAP.
EMBO Rep., 3, 2002
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