7K6L
 
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4LI8
 | | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | | Descriptor: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.521 Å) | | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
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3K36
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3WF3
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2XSB
 | | OgOGA PUGNAc complex | | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | Authors: | Schuttelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
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7JXZ
 | | Structure of HbA with compound (S)-4 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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2Y61
 | | Crystal structure of Leishmanial E65Q-TIM complexed with S-Glycidol phosphate | | Descriptor: | GLYCEROL, SN-GLYCEROL-1-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Venkatesan, R, Alahuhta, M, Pihko, P.M, Wierenga, R.K. | | Deposit date: | 2011-01-19 | | Release date: | 2011-12-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | High resolution crystal structures of triosephosphate isomerase complexed with its suicide inhibitors: the conformational flexibility of the catalytic glutamate in its closed, liganded active site.
Protein Sci., 20, 2011
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1IRQ
 | | Crystal structure of omega transcriptional repressor at 1.5A resolution | | Descriptor: | omega transcriptional repressor | | Authors: | Murayama, K, Orth, P, De La Hoz, A.B, Alonso, J.C, Saenger, W. | | Deposit date: | 2001-10-11 | | Release date: | 2001-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of omega transcriptional repressor encoded by Streptococcus pyogenes plasmid pSM19035 at 1.5 A resolution.
J.Mol.Biol., 314, 2001
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4HCG
 | | Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Zinc bound from Bacillus anthracis | | Descriptor: | Cupredoxin 1, ZINC ION | | Authors: | Kim, Y, Maltseva, N, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-09-29 | | Release date: | 2012-10-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Zinc bound from Bacillus anthracis
To be Published
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7K6Z
 | | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide | | Descriptor: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Andring, J.T, Singh, S, McKenna, R. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7K7P
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4HHB
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5REB
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899 | | Descriptor: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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2QXI
 | | High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone | | Descriptor: | Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | | Authors: | Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P. | | Deposit date: | 2007-08-11 | | Release date: | 2008-01-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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5RE8
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2737076969 | | Descriptor: | 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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2QYV
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1RHF
 | | Crystal Structure of human Tyro3-D1D2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Tyrosine-protein kinase receptor TYRO3, ... | | Authors: | Heiring, C, Dahlback, B, Muller, Y.A. | | Deposit date: | 2003-11-14 | | Release date: | 2004-03-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Ligand recognition and homophilic interactions in Tyro3: structural insights into the Axl/Tyro3 receptor tyrosine kinase family.
J.Biol.Chem., 279, 2004
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1VGL
 | | Crystal structure of tetrameric KaiB from T.elongatus BP-1 | | Descriptor: | Circadian clock protein kaiB, MERCURY (II) ION | | Authors: | Iwase, R, Imada, K, Hayashi, F, Uzumaki, T, Namba, K, Ishiura, M. | | Deposit date: | 2004-04-27 | | Release date: | 2005-08-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functionally important substructures of circadian clock protein KaiB in a unique tetramer complex.
J.Biol.Chem., 280, 2005
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5RHG
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5Z30
 | | The crystal structure of the nucleosome containing a cancer-associated histone H2A.Z R80C mutant | | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A.Z, ... | | Authors: | Horikoshi, N, Arimura, Y, Kurumizaka, H. | | Deposit date: | 2018-01-05 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
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1RDG
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1JC7
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1BVM
 | | SOLUTION NMR STRUCTURE OF BOVINE PANCREATIC PHOSPHOLIPASE A2, 20 STRUCTURES | | Descriptor: | PROTEIN (PHOSPHOLIPASE A2) | | Authors: | Yuan, C.-H, Byeon, I.-J.L, Li, Y, Tsai, M.-D. | | Deposit date: | 1998-09-14 | | Release date: | 1999-09-16 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of phospholipase A2 from functional perspective. 1. Functionally relevant solution structure and roles of the hydrogen-bonding network.
Biochemistry, 38, 1999
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4GSA
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1JF7
 | | HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177836 | | Descriptor: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE 1B | | Authors: | Larsen, S.D, Barf, T, Liljebris, C, May, P.D, Ogg, D, O'Sullivan, T.J, Palazuk, B.J, Schostarez, H.J, Stevens, F.C, Bleasdale, J.E. | | Deposit date: | 2001-06-20 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and biological activity of a novel class of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B.
J.Med.Chem., 45, 2002
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