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1TTM
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 667-COUMATE
Descriptor:Carbonic anhydrase II, ZINC ION, 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE
Authors:Lloyd, M.D., Pederick, R.L., Natesh, R., Woo, L.W.L., Purohit, A., Reed, M.J., Acharya, K.R., Potter, B.V.L.
Deposit date:2004-06-23
Release date:2004-10-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent
Biochem.J., 385, 2005
1XPZ
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STRUCTURE OF HUMAN CARBONIC ANHYDRASE II WITH 4-[4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
Descriptor:Carbonic anhydrase II, ZINC ION, 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE
Authors:Lloyd, M.D., Thiyagarajan, N., Ho, Y.T., Woo, L.W.L., Sutcliffe, O.B., Purohit, A., Reed, M.J., Acharya, K.R., Potter, B.V.L.
Deposit date:2004-10-11
Release date:2005-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,)
Biochemistry, 44, 2005
1XQ0
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STRUCTURE OF HUMAN CARBONIC ANHYDRASE II WITH 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
Descriptor:Carbonic anhydrase II, ZINC ION, 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE
Authors:Lloyd, M.D., Thiyagarajan, N., Ho, Y.T., Woo, L.W.L., Sutcliffe, O.B., Purohit, A., Reed, M.J., Acharya, K.R., Potter, B.V.L.
Deposit date:2004-10-11
Release date:2005-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,)
Biochemistry, 44, 2005
2X7S
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STRUCTURES OF HUMAN CARBONIC ANHYDRASE II INHIBITOR COMPLEXES REVEAL A SECOND BINDING SITE FOR STEROIDAL AND NON-STEROIDAL INHIBITORS.
Descriptor:CARBONIC ANHYDRASE 2, GLYCEROL, (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, ...
Authors:Cozier, G.E., Leese, M.P., Lloyd, M.D., Baker, M.D., Thiyagarajan, N., Acharya, K.R., Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors.
Biochemistry, 49, 2010
2X7T
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STRUCTURES OF HUMAN CARBONIC ANHYDRASE II INHIBITOR COMPLEXES REVEAL A SECOND BINDING SITE FOR STEROIDAL AND NON-STEROIDAL INHIBITORS.
Descriptor:CARBONIC ANHYDRASE 2, (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, GLYCEROL, ...
Authors:Cozier, G.E., Leese, M.P., Lloyd, M.D., Baker, M.D., Thiyagarajan, N., Acharya, K.R., Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
2X7U
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STRUCTURES OF HUMAN CARBONIC ANHYDRASE II INHIBITOR COMPLEXES REVEAL A SECOND BINDING SITE FOR STEROIDAL AND NON-STEROIDAL INHIBITORS.
Descriptor:CARBONIC ANHYDRASE 2, ZINC ION, (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, ...
Authors:Cozier, G.E., Leese, M.P., Lloyd, M.D., Baker, M.D., Thiyagarajan, N., Acharya, K.R., Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
1E5H
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DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, SUCCINIC ACID, ...
Authors:Lee, H.J., Lloyd, M.D., Harlos, K., Clifton, I.J., Baldwin, J.E., Schofield, C.J.
Deposit date:2000-07-26
Release date:2001-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
1E5I
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DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, 2-OXOGLUTARIC ACID
Authors:Lee, H.J., Lloyd, M.D., Harlos, K., Clifton, I.J., Baldwin, J.E., Schofield, C.J.
Deposit date:2000-07-26
Release date:2001-07-26
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
1HJF
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ALTERATION OF THE CO-SUBSTRATE SELECTIVITY OF DEACETOXYCEPHALOSPORIN C SYNTHASE: THE ROLE OF ARGININE-258
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, 2-OXO-4-METHYLPENTANOIC ACID
Authors:Lee, H.J., Lloyd, M.D., Clifton, I.J., Harlos, K., Dubus, A., Baldwin, J.E., Frere, J.M., Schofield, C.J.
Deposit date:2001-01-15
Release date:2001-06-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
1HJG
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ALTERATION OF THE CO-SUBSTRATE SELECTIVITY OF DEACETOXYCEPHALOSPORIN C SYNTHASE: THE ROLE OF ARGININE-258
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, 3-METHYL-2-OXOBUTANOIC ACID
Authors:Lee, H.J., Lloyd, M.D., Clifton, I.J., Harlos, K., Dubus, A., Baldwin, J.E., Frere, J.M., Schofield, C.J.
Deposit date:2001-01-15
Release date:2001-06-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
1DCS
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DEACETOXYCEPHALOSPORIN C SYNTHASE FROM S. CLAVULIGERUS
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, SULFATE ION
Authors:Valegard, K., Terwisscha Van Scheltinga, A.C., Lloyd, M.D., Hara, T., Ramaswamy, S., Perrakis, A., Thompson, A., Lee, H.J., Baldwin, J.E., Schofield, C.J., Hajdu, J., Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
1RXF
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DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II)
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION
Authors:Valegard, K., Terwisscha Van Scheltinga, A.C., Lloyd, M.D., Hara, T., Ramaswamy, S., Perrakis, A., Thompson, A., Lee, H.J., Baldwin, J.E., Schofield, C.J., Hajdu, J., Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
1RXG
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DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE
Descriptor:DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, SULFATE ION, ...
Authors:Valegard, K., Terwisscha Van Scheltinga, A.C., Lloyd, M.D., Hara, T., Ramaswamy, S., Perrakis, A., Thompson, A., Lee, H.J., Baldwin, J.E., Shofield, C.J., Hajdu, J., Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
4UFU
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-12
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-19
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UFY
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-13
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-20
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UHG
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-21
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI3
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-26
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI4
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-29
Descriptor:TANKYRASE-2, SULFATE ION, ZINC ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI5
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-41
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI6
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-47
Descriptor:TANKYRASE-2, 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI7
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-49
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI8
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-55
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Haikarainen, T., Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UVL
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 5-AMINO-1,2- DIHYDROISOQUINOLIN-1-ONE
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Narwal, M., Haikarainen, T., Lehtio, L.
Deposit date:2014-08-07
Release date:2015-07-29
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UVN
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 5-AMINO-3-(4- CHLOROPHENYL)-1,2-DIHYDROISOQUINOLIN-1-ONE
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Narwal, M., Haikarainen, T., Lehtio, L.
Deposit date:2014-08-07
Release date:2015-07-29
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UVO
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 5-AMINO-3-(4- METHOXYPHENYL)-1,2-DIHYDROISOQUINOLIN-1-ONE
Descriptor:TANKYRASE-2, ZINC ION, SULFATE ION, ...
Authors:Narwal, M., Haikarainen, T., Lehtio, L.
Deposit date:2014-08-07
Release date:2015-07-29
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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