Author results

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
2UVM
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STRUCTURE OF PKBALPHA PH DOMAIN IN COMPLEX WITH A NOVEL INOSITOL HEADGROUP SURROGATE, BENZENE 1,2,3,4-TETRAKISPHOSPHATE
Descriptor:RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], SODIUM ION
Authors:Komander, D., Mills, S.J., Trusselle, M.N., Safrany, S.T., van Aalten, D.M.F., Potter, B.V.L.
Deposit date:2007-03-12
Release date:2007-04-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
2WD2
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A CHIMERIC MICROTUBULE DISRUPTOR WITH EFFICACY ON A TAXANE RESISTANT CELL LINE
Descriptor:CARBONIC ANHYDRASE 2, ZINC ION, 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, ...
Authors:Leese, M.P., Jourdan, F.L., Kimberley, M.R., Cozier, G.E., Regis-Lydi, S., Foster, P.A., Newman, S.P., Thiyagarajan, N., Acharya, K.R., Ferrandis, E., Purohit, A., Reed, M.J., Potter, B.V.L.
Deposit date:2009-03-19
Release date:2010-03-31
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
2WD3
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HIGHLY POTENT FIRST EXAMPLES OF DUAL AROMATASE-STEROID SULFATASE INHIBITORS BASED ON A BIPHENYL TEMPLATE
Descriptor:CARBONIC ANHYDRASE 2, 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE, ZINC ION
Authors:Woo, L.W.L., Jackson, T., Putey, A., Cozier, G., Leonard, P., Acharya, K.R., Chander, S.K., Purohit, A., Reed, M.J., Potter, B.V.L.
Deposit date:2009-03-19
Release date:2010-02-23
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors Based on a Biphenyl Template.
J.Med.Chem., 53, 2010
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:2019-07-10
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
3I9J
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CRYSTAL STRUCTURE OF ADP RIBOSYL CYCLASE COMPLEXED WITH A SUBSTRATE ANALOG AND A PRODUCT NICOTINAMIDE
Descriptor:ADP-ribosyl cyclase, Nicotinamide 2-fluoro-adenine dinucleotide, [(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, ...
Authors:Liu, Q., Graeff, R., Kriksunov, I.A., Jiang, H., Zhang, B., Oppenheimer, N., Lin, H., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2009-07-12
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9K
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CRYSTAL STRUCTURE OF ADP RIBOSYL CYCLASE COMPLEXED WITH SUBSTRATE NAD
Descriptor:ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, Q., Graeff, R., Kriksunov, I.A., Jiang, H., Zhang, B., Oppenheimer, N., Lin, H., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2009-07-12
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9L
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CRYSTAL STRUCTURE OF ADP RIBOSYL CYCLASE COMPLEXED WITH N1-CIDPR
Descriptor:ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE
Authors:Liu, Q., Graeff, R., Kriksunov, I.A., Jiang, H., Zhang, B., Oppenheimer, N., Lin, H., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2009-07-12
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9M
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CRYSTAL STRUCTURE OF HUMAN CD38 COMPLEXED WITH AN ANALOG ARA-2'F-ADPR
Descriptor:ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Authors:Liu, Q., Graeff, R., Kriksunov, I.A., Jiang, H., Zhang, B., Oppenheimer, N., Lin, H., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2009-07-12
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9N
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CRYSTAL STRUCTURE OF HUMAN CD38 COMPLEXED WITH AN ANALOG RIBO-2'F-ADP RIBOSE
Descriptor:ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Authors:Liu, Q., Graeff, R., Kriksunov, I.A., Jiang, H., Zhang, B., Oppenheimer, N., Lin, H., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2009-07-12
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
4A9C
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CRYSTAL STRUCTURE OF HUMAN SHIP2 IN COMPLEX WITH BIPHENYL 2,3',4,5',6- PENTAKISPHOSPHATE
Descriptor:PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2, BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE
Authors:Tresaugues, L., Arrowsmith, C.H., Berglund, H., Bountra, C., Edwards, A.M., Ekblad, T., Graslund, S., Karlberg, T., Mills, S.J., Moche, M., Nyman, T., Persson, C., Potter, B.V.L., Schuler, H., Thorsell, A.G., Weigelt, J., Nordlund, P.
Deposit date:2011-11-25
Release date:2012-05-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery.
Acs Chem.Biol., 7, 2012
5A7I
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CRYSTAL STRUCTURE OF INPP5B IN COMPLEX WITH BIPHENYL 3,3',4,4',5,5'- HEXAKISPHOSPHATE
Descriptor:TYPE II INOSITOL 1,4,5-TRISPHOSPHATE 5-PHOSPHATASE, GLYCEROL, Biphenyl 3,3',4,4',5,5'-hexakisphosphate, ...
Authors:Tresaugues, L., Mills, S.J., Silvander, C., Cozier, G., Potter, B.V.L., Norldund, P.
Deposit date:2015-07-06
Release date:2016-04-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
5A7J
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CRYSTAL STRUCTURE OF INPP5B IN COMPLEX WITH BENZENE 1,2,4,5- TETRAKISPHOSPHATE
Descriptor:TYPE II INOSITOL 1,4,5-TRISPHOSPHATE 5-PHOSPHATASE, SULFATE ION, (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, ...
Authors:Tresaugues, L., Mills, S.J., Silvander, C., Cozier, G., Potter, B.V.L., Nordlund, P.
Deposit date:2015-07-06
Release date:2016-04-13
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
5OSK
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TUBULIN-7J COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Menchon, G., Prota, A.E., Steinmetz, M.O., Potter, B.V.L.
Deposit date:2017-08-17
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
6HX8
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TUBULIN-STX3451 COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Dohle, W., Prota, A.E., Menchon, G., Hamel, E., Steinmetz, M.O., Potter, B.V.L.
Deposit date:2018-10-16
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Tetrahydroisoquinoline Sulfamates as Potent Microtubule Disruptors: Synthesis, Antiproliferative and Antitubulin Activity of Dichlorobenzyl-Based Derivatives, and a Tubulin Cocrystal Structure.
ACS Omega, 4, 2019
3C7P
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH STX237
Descriptor:Carbonic anhydrase 2, ZINC ION, CHLORIDE ION, ...
Authors:Di Fiore, A., De Simone, G.
Deposit date:2008-02-08
Release date:2009-01-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography
Mol.Cancer Ther., 7, 2008
1B55
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PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Descriptor:TYROSINE-PROTEIN KINASE BTK, ZINC ION, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
Authors:Djinovic Carugo, K., Baraldi, E., Hyvoenen, M., Lo Surdo, P., Riley, A.M., Potter, B.V.L., O'Brien, R., Ladbury, J.E., Saraste, M.
Deposit date:1999-01-12
Release date:1999-06-15
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate.
Structure Fold.Des., 7, 1999
2PGJ
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CATALYSIS ASSOCIATED CONFORMATIONAL CHANGES REVEALED BY HUMAN CD38 COMPLEXED WITH A NON-HYDROLYZABLE SUBSTRATE ANALOG
Descriptor:ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE
Authors:Liu, Q., Kriksunov, I.A., Moreau, C., Graeff, R., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog
J.Biol.Chem., 282, 2007
2PGL
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CATALYSIS ASSOCIATED CONFORMATIONAL CHANGES REVEALED BY HUMAN CD38 COMPLEXED WITH A NON-HYDROLYZABLE SUBSTRATE ANALOG
Descriptor:ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE
Authors:Liu, Q., Kriksunov, I.A., Moreau, C., Graeff, R., Potter, B.V.L., Lee, H.C., Hao, Q.
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog
J.Biol.Chem., 282, 2007
3U4H
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CD38 STRUCTURE-BASED INHIBITOR DESIGN USING THE N1-CYCLIC INOSINE 5'-DIPHOSPHATE RIBOSE TEMPLATE
Descriptor:ADP-ribosyl cyclase 1, 8-Amino-N1-Cyclic Inosine 5'-Diphosphoribose
Authors:Liu, Q., Hao, Q., Lee, H.C., Graeff, R.
Deposit date:2011-10-08
Release date:2012-10-10
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
3U4I
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CD38 STRUCTURE-BASED INHIBITOR DESIGN USING THE N1-CYCLIC INOSINE 5'-DIPHOSPHATE RIBOSE TEMPLATE
Descriptor:ADP-ribosyl cyclase 1, Cyclic adenosine 5'-diphosphocarbocyclic ribose
Authors:Liu, Q., Hao, Q., Lee, H.C., Graeff, R.
Deposit date:2011-10-08
Release date:2012-10-10
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
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