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1N1T
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BU of 1n1t by Molmil
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
1N1V
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BU of 1n1v by Molmil
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
1N1S
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BU of 1n1s by Molmil
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
2GFP
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BU of 2gfp by Molmil
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
1S0I
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BU of 1s0i by Molmil
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
1S0J
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BU of 1s0j by Molmil
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
1KWD
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BU of 1kwd by Molmil
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
1KWE
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BU of 1kwe by Molmil
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
1WCS
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BU of 1wcs by Molmil
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
1YY6
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BU of 1yy6 by Molmil
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
1YZE
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BU of 1yze by Molmil
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
2AH2
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BU of 2ah2 by Molmil
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
3NAX
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BU of 3nax by Molmil
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
3NAY
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BU of 3nay by Molmil
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
5K5T
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BU of 5k5t by Molmil
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
5K5S
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BU of 5k5s by Molmil
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
4DUS
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BU of 4dus by Molmil
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
4FS4
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BU of 4fs4 by Molmil
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
8FJN
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BU of 8fjn by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group
Descriptor: CALCIUM ION, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Frisbie, V.S, Hashimoto, H, Debler, E.W.
Deposit date:2022-12-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8FJM
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Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group
Descriptor: ACETATE ION, CALCIUM ION, Histone-lysine N-methyltransferase, ...
Authors:Frisbie, V.S, Hashimoto, H, Debler, E.W.
Deposit date:2022-12-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
4QYJ
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BU of 4qyj by Molmil
Structure of Phenylacetaldehyde Dehydrogenase from Pseudomonas putida S12
Descriptor: Aldehyde dehydrogenase
Authors:Crabo, A.G, Gassner, G.T, Sazinsky, M.H.
Deposit date:2014-07-24
Release date:2015-08-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and biochemistry of phenylacetaldehyde dehydrogenase from the Pseudomonas putida S12 styrene catabolic pathway.
Arch.Biochem.Biophys., 616, 2017
4TPP
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BU of 4tpp by Molmil
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
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.77 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
4WNM
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BU of 4wnm by Molmil
SYK catalytic domain in complex with a potent triazolopyridine inhibitor
Descriptor: N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK
Authors:Jackson, P.J.
Deposit date:2014-10-13
Release date:2016-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation.
Plos One, 11, 2016
4XHJ
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gHgL of Varicella-zoster virus in complex with human neutralizing antibodies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Xing, Y.
Deposit date:2015-01-05
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.156 Å)
Cite:A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015

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