1N1T
 
 | | Trypanosoma rangeli sialidase in complex with DANA at 1.6 A | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase | | Authors: | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | | Deposit date: | 2002-10-20 | | Release date: | 2003-01-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T. cruzi
trans-sialidase
J.Mol.Biol., 325, 2003
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1N1V
 | | Trypanosoma rangeli sialidase in complex with DANA | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase | | Authors: | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | | Deposit date: | 2002-10-21 | | Release date: | 2003-01-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T.
cruzi trans-sialidase
J.Mol.Biol., 325, 2003
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1N1S
 | | Trypanosoma rangeli sialidase | | Descriptor: | SULFATE ION, Sialidase | | Authors: | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | | Deposit date: | 2002-10-20 | | Release date: | 2003-01-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T. cruzi
trans-sialidase
J.Mol.Biol., 325, 2003
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1KWE
 | | SOLUTION STRUCTURE OF THE CENTRAL CONSERVED REGION OF HUMAN RESPIRATORY SYNCYTIAL VIRUS ATTACHMENT GLYCOPROTEIN G | | Descriptor: | MAJOR SURFACE GLYCOPROTEIN G | | Authors: | Sugawara, M, Czaplicki, J, Ferrage, J, Haeuw, J.F, Power, U.F, Corvaia, N, Nguyen, T, Beck, A, Milon, A. | | Deposit date: | 2002-01-29 | | Release date: | 2003-06-17 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure-antigenicity relationship studies of the central conserved region of human respiratory syncytial virus protein G.
J.Pept.Res., 60, 2002
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1KWD
 | | SOLUTION STRUCTURE OF THE CENTRAL CONSERVED REGION OF HUMAN RESPIRATORY SYNCYTIAL VIRUS ATTACHMENT GLYCOPROTEIN G 187 | | Descriptor: | MAJOR SURFACE GLYCOPROTEIN G | | Authors: | Sugawara, M, Czaplicki, J, Ferrage, J, Haeuw, J.F, Power, U.F, Corvaia, N, Nguyen, T, Beck, A, Milon, A. | | Deposit date: | 2002-01-29 | | Release date: | 2003-06-17 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure-antigenicity relationship studies of the central conserved region of human respiratory syncytial virus protein G.
J.Pept.Res., 60, 2002
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2GFP
 | | Structure of the Multidrug Transporter EmrD from Escherichia coli | | Descriptor: | Multidrug resistance protein D | | Authors: | Yin, Y, He, X, Szewczyk, P, Nguyen, T, Chang, G. | | Deposit date: | 2006-03-22 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the multidrug transporter EmrD from Escherichia coli
Science, 312, 2006
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1S0I
 | | Trypanosoma cruzi trans-sialidase in complex with sialyl-lactose (Michaelis complex) | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, trans-sialidase | | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | | Deposit date: | 2003-12-31 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase.
Structure, 12, 2004
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1S0J
 | | Trypanosoma cruzi trans-sialidase in complex with MuNANA (Michaelis complex) | | Descriptor: | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID, trans-sialidase | | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | | Deposit date: | 2003-12-31 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase.
Structure, 12, 2004
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1WCS
 | | A mutant of Trypanosoma rangeli sialidase displaying trans-sialidase activity | | Descriptor: | SIALIDASE | | Authors: | Paris, G, Ratier, L, Amaya, M.F, Nguyen, T, Alzari, P.M, Frasch, C. | | Deposit date: | 2004-11-21 | | Release date: | 2004-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Sialidase Mutant Displaying Trans-Sialidase Activity
J.Mol.Biol., 345, 2005
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1YY6
 | | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with an EBNA1 peptide | | Descriptor: | Epstein-Barr nuclear antigen-1, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M, Shire, K, Nguyen, T, Zhang, R, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L. | | Deposit date: | 2005-02-23 | | Release date: | 2005-04-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization.
Mol.Cell, 18, 2005
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1YZE
 | | Crystal structure of the N-terminal domain of USP7/HAUSP. | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M.N, Shire, K, Nguyen, T, Zhang, R.G, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L. | | Deposit date: | 2005-02-28 | | Release date: | 2005-04-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization.
Mol.Cell, 18, 2005
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2AH2
 | | Trypanosoma cruzi trans-sialidase in complex with 2,3-difluorosialic acid (covalent intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | | Deposit date: | 2005-07-27 | | Release date: | 2005-08-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase
Structure, 12, 2004
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4QYJ
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4TPP
 | | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | | Descriptor: | 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-06-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
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4TPM
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3NAX
 | | PDK1 in complex with inhibitor MP7 | | Descriptor: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | | Authors: | Yan, Y, Munshi, S.K, Allison, T. | | Deposit date: | 2010-06-02 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
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3NAY
 | | PDK1 in complex with inhibitor MP6 | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | | Authors: | Yan, Y, Munshi, S.K, Allison, T. | | Deposit date: | 2010-06-02 | | Release date: | 2010-11-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
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5K5S
 | | Crystal structure of the active form of human calcium-sensing receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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4DUS
 | | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Sickmier, E.A. | | Deposit date: | 2012-02-22 | | Release date: | 2012-10-10 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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4FS4
 | | Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Stamford, A. | | Deposit date: | 2012-06-26 | | Release date: | 2012-10-10 | | Last modified: | 2014-07-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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5K5T
 | | Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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8UF5
 | | Catalytic domain of GtfB in complex with inhibitor G43 | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Schormann, N, Deivanayagam, C, Velu, S. | | Deposit date: | 2023-10-03 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
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3MJW
 | | PI3 Kinase gamma with a benzofuranone inhibitor | | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Bard, J, Svenson, K. | | Deposit date: | 2010-04-13 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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5IWL
 | | CD47-diabody complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ... | | Authors: | Di, W, Jude, K.M, Garcia, K.C. | | Deposit date: | 2016-03-22 | | Release date: | 2016-06-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
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6MCY
 | | Crystal structure of mouse Bak | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2018-09-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
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