5CPP
 
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3BEQ
 | | Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, X, Zhu, X, Wilson, I.A. | | Deposit date: | 2007-11-19 | | Release date: | 2008-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
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2E03
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1OBQ
 | | Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry | | Descriptor: | CRUSTACYANIN C1 SUBUNIT | | Authors: | Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2003-01-31 | | Release date: | 2003-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
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3FYD
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3FVY
 | | Crystal structure of human Dipeptidyl Peptidase III | | Descriptor: | CHLORIDE ION, Dipeptidyl-peptidase 3, MAGNESIUM ION, ... | | Authors: | Dong, A, Dobrovetsky, E, Seitova, A, Duncan, B, Crombet, L, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-16 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3BGP
 | | Human Pim-1 complexed with a benzoisoxazole inhibitor VX1 | | Descriptor: | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2007-11-27 | | Release date: | 2007-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.
J.Med.Chem., 51, 2008
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3FQJ
 | | Crystal Structure of the Mouse Dom3Z in Complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein Dom3Z | | Authors: | Xiang, S, Tong, L. | | Deposit date: | 2009-01-07 | | Release date: | 2009-02-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.623 Å) | | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
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3FWG
 | | Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | | Authors: | Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. | | Deposit date: | 2009-01-18 | | Release date: | 2009-03-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4LCB
 | | Structure of Vps4 homolog from Acidianus hospitalis | | Descriptor: | CHLORIDE ION, Cell division protein CdvC, Vps4 | | Authors: | Han, H, Hill, C.P, Whitby, F.G, Monroe, N. | | Deposit date: | 2013-06-21 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
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1OBU
 | | Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry | | Descriptor: | CRUSTACYANIN C1 SUBUNIT | | Authors: | Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2003-01-31 | | Release date: | 2003-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
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2VOA
 | | Structure of an AP Endonuclease from Archaeoglobus fulgidus | | Descriptor: | 5'-D(*CP*GP*GP*CP*TP*AP*CP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*GP*TP*AP*GP*CP*CP*GP)-3', EXODEOXYRIBONUCLEASE III | | Authors: | Kuettner, E.B, Schmiedel, R, Greiner-Stoffele, T, Strater, N. | | Deposit date: | 2008-02-11 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Function of the Abasic Site Specificity Pocket of an Ap Endonuclease from Archaeoglobus Fulgidus.
DNA Repair, 8, 2009
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4FM5
 | | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | | Descriptor: | (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
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1OEC
 | | FGFr2 kinase domain | | Descriptor: | 4-ARYL-2-PHENYLAMINO PYRIMIDINE, FIBROBLAST GROWTH FACTOR RECEPTOR 2, SULFATE ION | | Authors: | Ceska, T.A, Owens, R, Doyle, C, Hamlyn, P, Crabbe, T, Moffat, D, Davis, J, Martin, R, Perry, M.J. | | Deposit date: | 2003-03-24 | | Release date: | 2004-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structure of the Fgfr2 Tyrosine Kinase Domain in Complex with 4-Aryl-2-Phenylamino Pyrimidine Angiogenesis Inhibitors
To be Published
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2BV5
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 AT 1.8A RESOLUTION | | Descriptor: | GLYCEROL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | | Authors: | Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2005-06-22 | | Release date: | 2005-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
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5G6I
 | | Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2016-06-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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4KVD
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium | | Descriptor: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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4KVX
 | | Crystal structure of Naa10 (Ard1) bound to AcCoA | | Descriptor: | ACETYL COENZYME *A, N-terminal acetyltransferase A complex catalytic subunit ard1 | | Authors: | Liszczak, G.P, Marmorstein, R.Q. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for N-terminal acetylation by the heterodimeric NatA complex.
Nat.Struct.Mol.Biol., 20, 2013
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5CVO
 | | WDR48:USP46~ubiquitin ternary complex | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ... | | Authors: | Harris, S.F, Yin, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.885 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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3B18
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5DDA
 | | Menin in complex with MI-333 | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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4KYA
 | | Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Sharma, H, Anderson, K.S. | | Deposit date: | 2013-05-28 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.263 Å) | | Cite: | Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
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5CXL
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4L0Z
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4L19
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 | | Descriptor: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ... | | Authors: | Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S. | | Deposit date: | 2013-06-02 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
J.Med.Chem., 57, 2014
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