Author results

3BOA
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CRYSTAL STRUCTURE OF YEAST PROTEIN DISULFIDE ISOMERASE.
Descriptor:Protein disulfide-isomerase
Authors:Tian, G., Lennarz, W.J., Schindelin, H.
Deposit date:2007-12-17
Release date:2008-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The Catalytic Activity of Protein-disulfide Isomerase Requires a Conformationally Flexible Molecule.
J.Biol.Chem., 283, 2008
2B5E
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CRYSTAL STRUCTURE OF YEAST PROTEIN DISULFIDE ISOMERASE
Descriptor:Protein disulfide-isomerase, BARIUM ION, GLYCEROL
Authors:Schindelin, H., Tian, G.
Deposit date:2005-09-28
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of yeast protein disulfide isomerase suggests cooperativity between its active sites.
Cell(Cambridge,Mass.), 124, 2006
2VA5
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X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 8C
Descriptor:BETA-SECRETASE 1 ., IODIDE ION, 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one
Authors:Edwards, P.D., Albert, J.S., Sylvester, M., Aharony, D., Andisik, D., Callaghan, O., Campbell, J.B., Carr, R.A., Chessari, G., Congreve, M., Frederickson, M., Folmer, R.H.A., Geschwindner, S., Koether, G., Kolmodin, K., Krumrine, J., Mauger, R.C., Murray, C.W., Olsson, L., Patel, S., Spear, N., Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
2VA6
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X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 24
Descriptor:BETA SECRETASE 1, IODIDE ION, (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Authors:Edwards, P.D., Albert, J.S., Sylvester, M., Aharony, D., Andisik, D., Callaghan, O., Campbell, J.B., Carr, R.A., Chessari, G., Congreve, M., Frederickson, M., Folmer, R.H.A., Geschwindner, S., Koether, G., Kolmodin, K., Krumrine, J., Mauger, R.C., Murray, C.W., Olsson, L.L., Patel, S., Spear, N., Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
2VA7
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X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 27
Descriptor:BETA-SECRETASE 1 ., IODIDE ION, (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Authors:Edwards, P.D., Albert, J.S., Sylvester, M., Aharony, D., Andisik, D., Callaghan, O., Campbell, J.B., Carr, R.A., Chessari, G., Congreve, M., Frederickson, M., Folmer, R.H.A., Geschwindner, S., Koether, G., Kolmodin, K., Krumrine, J., Mauger, R.C., Murray, C.W., Olsson, L.L., Patel, S., Spear, N., Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
3H43
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N-TERMINAL DOMAIN OF THE PROTEASOME-ACTIVATING NUCLEOTIDASE OF METHANOCALDOCOCCUS JANNASCHII
Descriptor:Proteasome-activating nucleotidase
Authors:Jeffrey, P.D., Zhang, F., Hu, M., Tian, G., Zhang, P., Finley, D., Shi, Y.
Deposit date:2009-04-17
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
3H4M
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AAA ATPASE DOMAIN OF THE PROTEASOME- ACTIVATING NUCLEOTIDASE
Descriptor:Proteasome-activating nucleotidase, ADENOSINE-5'-DIPHOSPHATE
Authors:Jeffrey, P., Zhang, F., Hu, M., Tian, G., Zhang, P., Finley, D., Shi, Y.
Deposit date:2009-04-20
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
3H4P
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PROTEASOME 20S CORE PARTICLE FROM METHANOCALDOCOCCUS JANNASCHII
Descriptor:Proteasome subunit alpha, Proteasome subunit beta
Authors:Jeffrey, P.D., Zhang, F., Hu, M., Tian, G., Zhang, P., Finley, D., Shi, Y.
Deposit date:2009-04-20
Release date:2009-06-09
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
4AJD
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IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF PDE10 FRAGMENT INHIBITORS
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, PDE10, ...
Authors:Johansson, P., Albert, J.S., Spadola, L., Akerud, T., Back, E., Hillertz, P., Horsefeld, R., Scott, C., Spear, N., Tian, G., Tigerstrom, A., Aharony, D., Geschwindner, S.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJF
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IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF PDE10 FRAGMENT INHIBITORS
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, ...
Authors:Johansson, P., Albert, J.S., Spadola, L., Akerud, T., Back, E., Hillertz, P., Horsefeld, R., Scott, C., Spear, N., Tian, G., Tigerstrom, A., Aharony, D., Geschwindner, S.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJG
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IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF PDE10 FRAGMENT INHIBITORS
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, ...
Authors:Johansson, P., Albert, J.S., Spadola, L., Akerud, T., Back, E., Hillertz, P., Horsefeld, R., Scott, C., Spear, N., Tian, G., Tigerstrom, A., Aharony, D., Geschwindner, S.
Deposit date:2012-02-16
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJM
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DEVELOPMENT OF A PLATE-BASED OPTICAL BIOSENSOR METHODOLOGY TO IDENTIFY PDE10 FRAGMENT INHIBITORS
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, ...
Authors:Geschwindner, S., Johansson, P., Spadola, L., Akerud, T., Back, E., Hillertz, P., Horsefeld, R., Scott, C., Spear, N., Tian, G., Tigerstrom, A., Aharony, D., Albert, J.S.
Deposit date:2012-02-16
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
3SHY
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CRYSTAL STRUCTURE OF THE PDE5A1 CATALYTIC DOMAIN IN COMPLEX WITH NOVEL INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, ZINC ION, ...
Authors:Chen, T.T., Chen, T., Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.647 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SHZ
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CRYSTAL STRUCTURE OF THE PDE5A1 CATALYTIC DOMAIN IN COMPLEX WITH NOVEL INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, ZINC ION, ...
Authors:Chen, T.T., Chen, T., Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SIE
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CRYSTAL STRUCTURE OF THE PDE5A1 CATALYTIC DOMAIN IN COMPLEX WITH NOVEL INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one
Authors:Chen, T.T., Chen, T., Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2012-06-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
4G2W
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CRYSTAL STRUCTURE OF PDE5A IN COMPLEX WITH ITS INHIBITOR
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ...
Authors:Ren, J., Chen, T.T., Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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CRYSTAL STRUCTURE OF PDE5A COMPLEXED WITH ITS INHIBITOR
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, DI(HYDROXYETHYL)ETHER, ZINC ION, ...
Authors:Ren, J., Chen, T.T., Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
2N3T
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SOLUTION STRUCTURE OF THE RPN1 SUBSTRATE RECEPTOR SITE TOROID 1 (T1)
Descriptor:26S proteasome regulatory subunit RPN1
Authors:Chen, X., Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2016-03-23
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3U
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SOLUTION STRUCTURE OF THE RPN1 T1 SITE ENGAGING TWO MONOUBIQUITIN MOLECULES
Descriptor:26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X., Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2016-03-23
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3V
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SOLUTION STRUCTURE OF THE RPN1 T1 SITE WITH K48-LINKED DIUBIQUITIN IN THE EXTENDED BINDING MODE
Descriptor:26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X., Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2016-03-23
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3W
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SOLUTION STRUCTURE OF THE RPN1 T1 SITE WITH K48-LINKED DIUBIQUITIN IN THE CONTRACTED BINDING MODE
Descriptor:26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X., Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2016-03-23
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
4JPO
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5A RESOLUTION STRUCTURE OF PROTEASOME ASSEMBLY CHAPERONE HSM3 IN COMPLEX WITH A C-TERMINAL FRAGMENT OF RPT1
Descriptor:DNA mismatch repair protein HSM3, 26S protease regulatory subunit 7 homolog
Authors:Lovell, S., Battaile, K.P., Singh, R., Roelofs, J.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (5 Å)
Cite:Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
5YYF
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CRYSTAL STRUCUTRE OF AF9 YEATS DOMAIN IN COMPLEX WITH A PEPTIDE INHIBITOR "PHQ-H3(Q5-K9)" MODIFIED AT K9 WITH 2-FURANCARBOYL GROUP
Descriptor:Protein AF-9, Peptide inhibitor PHQ-H3(Q5-K9), SULFATE ION, ...
Authors:Li, Y., Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018