1JWD
 
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2ZYB
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2ZTI
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2ZM4
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2ZM1
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3A7E
 | | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Tsuji, E. | | Deposit date: | 2009-09-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published
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3ASI
 | | Alpha-Neurexin-1 ectodomain fragment; LNS5-EGF3-LNS6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurexin-1-alpha | | Authors: | Tanaka, H, Nogi, T, Yasui, N, Takagi, J. | | Deposit date: | 2010-12-13 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Variant-Specific Neuroligin-Binding by alpha-Neurexin
Plos One, 6, 2011
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3AQA
 | | Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 | | Descriptor: | 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | Authors: | Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
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3A7D
 | | Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor | | Descriptor: | 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Tsuji, E. | | Deposit date: | 2009-09-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 2: Ligand Fishing using Mass Spectrometry by Detection of Ligand-Protein Non-Covalent Complex after Matrix Click Chemistry
To be Published
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2CYP
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2D2X
 | | Crystal structure of 2-deoxy-scyllo-inosose synthase | | Descriptor: | 2-deoxy-scyllo-inosose synthase, COBALT (II) ION, GLYCEROL, ... | | Authors: | Nango, E, Kumasaka, T, Tanaka, N, Kakinuma, K, Eguchi, T. | | Deposit date: | 2005-09-20 | | Release date: | 2006-10-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
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2DCP
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3WVM
 | | The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Matsumura, H, Murakami, S, Inoue, T, Murata, M. | | Deposit date: | 2014-05-25 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Water-mediated recognition of simple alkyl chains by heart-type fatty-acid-binding protein.
Angew.Chem.Int.Ed.Engl., 54, 2015
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