4Q9C
 
 | | IgNAR antibody domain C3 | | Descriptor: | CHLORIDE ION, Novel antigen receptor, SODIUM ION, ... | | Authors: | Feige, J.M, Graewert, M.A, Marcinowski, M, Hennig, J, Behnke, J, Auslaender, D, Herold, E.M, Peschek, J, Castro, C.D, Flajnik, M.F, Hendershot, L.M, Sattler, M, Groll, M, Buchner, J. | | Deposit date: | 2014-04-30 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1JY5
 | | RNase-related protein from Calystegia sepium | | Descriptor: | CalsepRRP | | Authors: | Rabijns, A, Verboven, C, Rouge, P, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J. | | Deposit date: | 2001-09-11 | | Release date: | 2002-04-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of an RNase-related protein from Calystegia sepium.
Acta Crystallogr.,Sect.D, 58, 2002
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3W9P
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4E5W
 | | JAK1 kinase (JH1 domain) in complex with compound 26 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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2WFB
 | | High resolution structure of the apo form of the orange protein (ORP) from Desulfovibrio gigas | | Descriptor: | ACETATE ION, PHOSPHATE ION, PUTATIVE UNCHARACTERIZED PROTEIN ORP | | Authors: | Najmudin, S, Bonifacio, C, Duarte, A.G, Pereira, A.S, Moura, I, Moura, J.M, Romao, M.J. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High Resolution Crystal Structure of the Apo Form of the Orange Protein (Apo-Orp) from Desulfovibrio Gigas
To be Published
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4E6D
 | | JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | | Descriptor: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Murray, J.M. | | Deposit date: | 2012-03-15 | | Release date: | 2012-05-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4HLE
 | | Compound 21 (1-alkyl-substituted 1,2,4-triazoles) | | Descriptor: | 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Rouge, L, Wu, P. | | Deposit date: | 2012-10-16 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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3TL5
 | | Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | | Descriptor: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2011-08-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.788 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
J.Med.Chem., 54, 2011
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3TT0
 | | Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398) | | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, Basic fibroblast growth factor receptor 1, GLYCEROL, ... | | Authors: | Bussiere, D.E, Murray, J.M, Shu, W. | | Deposit date: | 2011-09-13 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
J.Med.Chem., 54, 2011
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4EQ1
 | | Crystal Structure of the ARNT PAS-B homodimer | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Aryl hydrocarbon receptor nuclear translocator | | Authors: | Gardner, K.H, Key, J.M. | | Deposit date: | 2012-04-17 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulating the ARNT/TACC3 Axis: Multiple Approaches to Manipulating Protein/Protein Interactions with Small Molecules.
Acs Chem.Biol., 8, 2013
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2YDT
 | | STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A from FUSARIUM Graminearum in complexe with an iminosugar inhibitor | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, ACETATE ION, EXO-1,5-ALPHA-L-ARABINOFURANOBIOSIDASE, ... | | Authors: | Goddard-Borger, E.D, Carapito, R, Jeltsch, J.M, Phalip, V, Stick, R.V, Varrot, A. | | Deposit date: | 2011-03-24 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Alpha-L-Arabinofuranosylated Pyrrolidines as Arabinanase Inhibitors.
Chem.Commun.(Camb.), 47, 2011
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1ACW
 | | SOLUTION NMR STRUCTURE OF P01, A NATURAL SCORPION PEPTIDE STRUCTURALLY ANALOGOUS TO SCORPION TOXINS SPECIFIC FOR APAMIN-SENSITIVE POTASSIUM CHANNEL, 25 STRUCTURES | | Descriptor: | NATURAL SCORPION PEPTIDE P01 | | Authors: | Blanc, E, Fremont, V, Sizun, P, Meunier, S, Van Rietschoten, J, Thevand, A, Bernassau, J.M, Darbon, H. | | Deposit date: | 1997-02-10 | | Release date: | 1997-04-01 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of P01, a natural scorpion peptide structurally analogous to scorpion toxins specific for apamin-sensitive potassium channel.
Proteins, 24, 1996
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4HVA
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1AJJ
 | | LDL RECEPTOR LIGAND-BINDING MODULE 5, CALCIUM-COORDINATING | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, SULFATE ION | | Authors: | Fass, D, Blacklow, S.C, Kim, P.S, Berger, J.M. | | Deposit date: | 1997-05-04 | | Release date: | 1997-07-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of familial hypercholesterolaemia from structure of LDL receptor module.
Nature, 388, 1997
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4EZK
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4EZL
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1ADL
 | | ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH ARACHIDONIC ACID: X-RAY CRYSTALLOGRAPHIC AND TITRATION CALORIMETRY STUDIES | | Descriptor: | ADIPOCYTE LIPID-BINDING PROTEIN, ARACHIDONIC ACID, PROPANOIC ACID | | Authors: | Lalonde, J.M, Levenson, M, Roe, J.J, Bernlohr, D.A, Banaszak, L.J. | | Deposit date: | 1994-03-25 | | Release date: | 1994-12-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Adipocyte lipid-binding protein complexed with arachidonic acid. Titration calorimetry and X-ray crystallographic studies.
J.Biol.Chem., 269, 1994
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2YDP
 | | Structure of the E242A mutant of the alpha-l-arabinofuranosidase arb93a from fusarium graminearum in complex with an iminosugar inhibitor | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, CALCIUM ION, EXO-1,5-ALPHA-L-ARABINOFURANOBIOSIDASE, ... | | Authors: | Goddard-Borger, E.D, Carapito, R, Jeltsch, J.M, Phalip, V, Stick, R.V, Varrot, A. | | Deposit date: | 2011-03-24 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Alpha-L-Arabinofuranosylated Pyrrolidines as Arabinanase Inhibitors.
Chem.Commun.(Camb.), 47, 2011
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1A30
 | | HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR | | Descriptor: | HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU | | Authors: | Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R. | | Deposit date: | 1998-01-27 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
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1A8K
 | | CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES | | Descriptor: | HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | | Authors: | Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M. | | Deposit date: | 1998-03-27 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates.
Eur.J.Biochem., 249, 1997
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4FTH
 | | Crystal Structure of NtrC4 DNA-binding domain bound to double-stranded DNA | | Descriptor: | 5'-D(*AP*CP*TP*TP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*AP*AP*AP*TP*GP*CP*AP*T)-3', 5'-D(P*GP*AP*TP*GP*CP*AP*TP*TP*TP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*AP*A)-3', Transcriptional regulator (NtrC family) | | Authors: | Vidangos, N.K, Heideker, J, Lyubimov, A.Y, Lamers, M, Huo, Y, Pelton, J.G, Ton, J, Gralla, J.D, Kuriyan, J, Berger, J.M, Wemmer, D.E. | | Deposit date: | 2012-06-27 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | DNA Recognition by a sigma (54) Transcriptional Activator from Aquifex aeolicus.
J.Mol.Biol., 426, 2014
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8WZ7
 | | The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021(I255A,T287A) in ternary complex with NAD and adenosine | | Descriptor: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Gao, Y.S, Xie, R, Chen, Y.N, Ma, J.M, Ge, H.H. | | Deposit date: | 2023-11-01 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Structural basis of substrate recognition for Legionella pneumophila SAH hydrolase Lpg2021
To Be Published
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8WZ9
 | | The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 in ternary complex with NAD and adenine | | Descriptor: | ADENINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Gao, Y.S, Xie, R, Chen, Y.N, Ma, J.M, Ge, H.H. | | Deposit date: | 2023-11-01 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 in ternary complex with NAD and adenine
To Be Published
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8VWH
 | | Structure of the baculovirus major nucleocapsid protein VP39 (localised reconstruction) | | Descriptor: | Major capsid protein, ZINC ION | | Authors: | Johnstone, B.A, Hardy, J.M, Ha, J.H, Venugopal, H, Coulibaly, F. | | Deposit date: | 2024-02-01 | | Release date: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | The baculovirus structure defines the hallmarks of a new viral realm
To Be Published
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4K18
 | | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | Descriptor: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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