5VP1
 
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | Descriptor: | MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
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9JDW
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5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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5VGX
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9C5Q
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1MG0
 | | Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol | | Descriptor: | 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rubach, J.K, Plapp, B.V. | | Deposit date: | 2002-08-14 | | Release date: | 2002-11-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
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5VGV
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6ZBA
 | | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | | Descriptor: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | | Authors: | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | | Deposit date: | 2020-06-08 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
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6Z2P
 | | Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate | | Descriptor: | CALCIUM ION, Glycodrosocin, O-glycan protease, ... | | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | Deposit date: | 2020-05-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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4V6F
 | | Elongation complex of the 70S ribosome with three tRNAs and mRNA. | | Descriptor: | 16S ribosomal RNA, 23S RIBOSOMAL RNA, 23S RRNA, ... | | Authors: | Jenner, L.B, Yusupova, G, Yusupov, M. | | Deposit date: | 2009-07-09 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural aspects of messenger RNA reading frame maintenance by the ribosome.
Nat.Struct.Mol.Biol., 17, 2010
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5VZJ
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5W0M
 | | Structure of human TUT7 catalytic module (CM) in complex with U5 RNA | | Descriptor: | IODIDE ION, SULFATE ION, Terminal uridylyltransferase 7, ... | | Authors: | Faehnle, C.R, Walleshauser, J, Joshua-Tor, L. | | Deposit date: | 2017-05-31 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Multi-domain utilization by TUT4 and TUT7 in control of let-7 biogenesis.
Nat. Struct. Mol. Biol., 24, 2017
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1W9W
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5VP0
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | Descriptor: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
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5VEV
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1MGO
 | | Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ... | | Authors: | Rubach, J.K, Plapp, B.V. | | Deposit date: | 2002-08-15 | | Release date: | 2002-11-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
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4W9M
 | | AMPPNP bound Rad50 in complex with dsDNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ... | | Authors: | Rojowska, A, Lammens, K. | | Deposit date: | 2014-08-27 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Rad50 DNA double-strand break repair protein in complex with DNA.
Embo J., 33, 2014
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4V8H
 | | Crystal structure of HPF bound to the 70S ribosome. | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Blaha, G.M, Steitz, T.A. | | Deposit date: | 2011-12-11 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How Hibernation Factors RMF, HPF, and YfiA Turn Off Protein Synthesis.
Science, 336, 2012
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1VSN
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3HAO
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1VK6
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4V4I
 | | Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements. | | Descriptor: | 16S SMALL SUBUNIT RIBOSOMAL RNA, 23S LARGE SUBUNIT RIBOSOMAL RNA, 30S ribosomal protein S10, ... | | Authors: | Korostelev, A, Trakhanov, S, Laurberg, M, Noller, H.F. | | Deposit date: | 2007-02-15 | | Release date: | 2014-07-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements
Cell(Cambridge,Mass.), 126, 2006
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1VRQ
 | | Crystal Structure of Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with Folinic Acid | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, N,N-DIMETHYLGLYCINE, ... | | Authors: | Ida, K, Moriguchi, T, Suzuki, H. | | Deposit date: | 2005-04-27 | | Release date: | 2005-07-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96
BIOCHEM.BIOPHYS.RES.COMMUN., 333, 2005
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4W2F
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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3HAP
 | | Crystal structure of bacteriorhodopsin mutant L111A crystallized from bicelles | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ... | | Authors: | Joh, N.H, Yang, D, Bowie, J.U. | | Deposit date: | 2009-05-02 | | Release date: | 2009-09-22 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
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