7XFR
 
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8U1F
 | | FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 | | Descriptor: | Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ... | | Authors: | Valverde, R, Foster, L. | | Deposit date: | 2023-08-31 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7CLI
 | | Structure of NF-kB p52 homodimer bound to P-Selectin kB DNA fragment | | Descriptor: | DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*CP*AP*CP*CP*CP*CP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*GP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit | | Authors: | Meshcheryakov, V.A, Wang, V.Y.-F. | | Deposit date: | 2020-07-21 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
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3B82
 | | Structure of the eEF2-ExoA(E546H)-NAD+ complex | | Descriptor: | Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Jorgensen, R, Merrill, A.R. | | Deposit date: | 2007-10-31 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
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8JM9
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8JMI
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8JMA
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8JME
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8JMH
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8C44
 | | HB3VAR03 apo headstructure (PfEMP1 A) complexed with EPCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Raghavan, S.S.R, Lavstsen, T, Wang, K.T. | | Deposit date: | 2022-12-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
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5EOB
 | | Crystal structure of CMET in complex with novel inhibitor | | Descriptor: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | | Authors: | Liu, Q, Chen, T, Xu, Y. | | Deposit date: | 2015-11-10 | | Release date: | 2016-10-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor
Eur.J.Med.Chem., 116, 2016
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8C3Y
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2ZIT
 | | Structure of the eEF2-ExoA-NAD+ complex | | Descriptor: | Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Jorgensen, R, Merrill, A.R. | | Deposit date: | 2008-02-24 | | Release date: | 2008-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
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3UUE
 | | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | | Descriptor: | CHLORIDE ION, GLYCEROL, LIP1, ... | | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | | Deposit date: | 2011-11-28 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
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3B78
 | | Structure of the eEF2-ExoA(R551H)-NAD+ complex | | Descriptor: | Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Jorgensen, R, Merrill, A.R. | | Deposit date: | 2007-10-30 | | Release date: | 2008-06-17 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
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4MBI
 | | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | | Descriptor: | N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine, Serine/threonine-protein kinase pim-1 | | Authors: | Azevedo, R, Fischmann, T.O. | | Deposit date: | 2013-08-19 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
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8W4J
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4N97
 | | E. coli sliding clamp in complex with 5-nitroindole | | Descriptor: | 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-10-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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4N99
 | | E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-10-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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2ZEC
 | | Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | | Deposit date: | 2007-12-08 | | Release date: | 2008-12-09 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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4N73
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4N98
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4KY8
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional thymidylate synthase-dihydrofolate reductase, METHOTREXATE, ... | | Authors: | Kumar, V.P, Anderson, K.S. | | Deposit date: | 2013-05-28 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.084 Å) | | Cite: | Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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7E0M
 | | Crystal structure of phospholipase D | | Descriptor: | Phospholipase, SULFATE ION | | Authors: | Wang, F.H. | | Deposit date: | 2021-01-28 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of a Phospholipase D from the Plant-Associated Bacteria Serratia plymuthica Strain AS9 Reveals a Unique Arrangement of Catalytic Pocket.
Int J Mol Sci, 22, 2021
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4N94
 | | E. coli sliding clamp in complex with 3,4-difluorobenzamide | | Descriptor: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-10-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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