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2ZNB
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METALLO-BETA-LACTAMASE (CADMIUM-BOUND FORM)
Descriptor:METALLO-BETA-LACTAMASE, CADMIUM ION, SODIUM ION
Authors:Concha, N.O., Herzberg, O.
Deposit date:1997-10-14
Release date:1998-01-28
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis.
Protein Sci., 6, 1997
3ZNB
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METALLO-BETA-LACTAMASE (ZN, HG-BOUND FORM)
Descriptor:METALLO-BETA-LACTAMASE, ZINC ION, MERCURY (II) ION, ...
Authors:Concha, N.O., Herzberg, O.
Deposit date:1997-10-15
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis.
Protein Sci., 6, 1997
1DD6
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
Descriptor:IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ZINC ION, ...
Authors:Concha, N.O., Janson, C.A., Rowling, P., Pearson, S., Cheever, C.A., Clarke, B.P., Lewis, C., Galleni, M., Frere, J.M., Payne, D.J., Bateson, J.H., Abdel-Meguid, S.S.
Deposit date:1999-11-08
Release date:2000-11-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1DDK
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CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:IMP-1 METALLO BETA-LACTAMASE, ZINC ION, ACETIC ACID
Authors:Concha, N.O., Janson, C.A., Rowling, P., Pearson, S., Cheever, C.A., Clarke, B.P., Lewis, C., Galleni, M., Frere, J.M., Payne, D.J., Bateson, J.H., Abdel-Meguid, S.S.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1ZNB
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METALLO-BETA-LACTAMASE
Descriptor:METALLO-BETA-LACTAMASE, ZINC ION, SODIUM ION
Authors:Concha, N.O., Herzberg, O.
Deposit date:1996-06-06
Release date:1997-01-11
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the wide-spectrum binuclear zinc beta-lactamase from Bacteroides fragilis.
Structure, 4, 1996
2RAN
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RAT ANNEXIN V CRYSTAL STRUCTURE: CA2+-INDUCED CONFORMATIONAL CHANGES
Descriptor:ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Concha, N.O., Head, J.F., Kaetzel, M.A., Dedman, J.R., Seaton, B.A.
Deposit date:1994-09-01
Release date:1994-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Rat annexin V crystal structure: Ca(2+)-induced conformational changes.
Science, 261, 1993
4YZ9
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CRYSTAL STRUCTURE OF HUMAN PHOSPHORYLATED IRE1ALPHA IN COMPLEX WITH A TYPE III KINASE INHIBITOR (GSK2850163A)
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZC
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CRYSTAL STRUCTURE OF PIRE1ALPHA IN COMPLEX WITH STAUROSPORINE
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, STAUROSPORINE
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZD
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CRYSTAL STRUCTURE OF HUMAN PHOSPHORYLATED IRE1ALPHA IN COMPLEX WITH ADP-MG
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
3E87
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CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF AKT2 IN COMPLEX WITH ATP-COMPETITIVE INHIBITORS
Descriptor:RAC-beta serine/threonine-protein kinase, Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
Authors:Concha, N.O., Elkins, P.A., Smallwood, A., Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E88
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CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF AKT2 IN COMPLEX WITH ATP-COMPETITIVE INHIBITORS
Descriptor:RAC-beta serine/threonine-protein kinase, Glycogen synthase kinase-3 beta peptide, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Authors:Concha, N.O., Elkins, P.A., Smallwood, A., Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8C
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CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF PKA IN COMPLEX WITH ATP-COMPETITIVE INHIBITORS
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Authors:Concha, N.O., Elkins, P.A., Smallwood, A., Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF AKT2 IN COMPLEX WITH ATP-COMPETITIVE INHIBITORS
Descriptor:RAC-beta serine/threonine-protein kinase, Glycogen synthase kinase-3 beta peptide, 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Authors:Concha, N.O., Elkins, P.A., Smallwood, A., Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8E
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CRYSTAL STRUCTURES OF THE KINASE DOMAIN OF PKA IN COMPLEX WITH ATP-COMPETITIVE INHIBITORS
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, PKI inhibitor peptide, 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Authors:Concha, N.O., Elkins, P.A., Smallwood, A., Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
1GFW
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THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor:CASPASE-3 (APOPAIN, P20), P10), ...
Authors:Concha, N.O., Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
2FVC
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CRYSTAL STRUCTURE OF NS5B BK STRAIN (DELTA 24) IN COMPLEX WITH A 3-(1,1-DIOXO-2H-(1,2,4)-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-2(1H)-QUINOLINONE
Descriptor:polyprotein, 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one
Authors:Concha, N.O., Wonacott, A., Singh, O.
Deposit date:2006-01-30
Release date:2007-01-16
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
3D0E
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CRYSTAL STRUCTURE OF HUMAN AKT2 IN COMPLEX WITH GSK690693
Descriptor:RAC-beta serine/threonine-protein kinase, 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol
Authors:Concha, N.O., Smallwood, A.
Deposit date:2008-05-01
Release date:2008-10-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
J.Med.Chem., 51, 2008
3HHK
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HCV NS5B POLYMERASE COMPLEX WITH A SUBSTITUTED BENZOTHIADIZINE
Descriptor:HCV NS5 polymerase, 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
Authors:Concha, N.O., Singh, O.
Deposit date:2009-05-15
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
6NT2
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TYPE 1 PRMT IN COMPLEX WITH THE INHIBITOR GSK3368715
Descriptor:Protein arginine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
Authors:Concha, N.O.
Deposit date:2019-01-28
Release date:2019-07-10
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
1A8A
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RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE
Descriptor:ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE
Authors:Swairjo, M.A., Concha, N.O., Kaetzel, M.A., Dedman, J.R., Seaton, B.A.
Deposit date:1998-03-23
Release date:1998-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
1A8B
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RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE
Descriptor:ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE
Authors:Swairjo, M.A., Concha, N.O., Kaetzel, M.A., Dedman, J.R., Seaton, B.A.
Deposit date:1998-03-23
Release date:1998-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
1HLK
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METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR
Descriptor:BETA-LACTAMASE, TYPE II, ZINC ION, ...
Authors:Payne, D.J., Hueso-Rodriguez, J.A., Boyd, H., Concha, N.O., Janson, C.A., Gilpin, M., Bateson, J.H., Chever, C., Niconovich, N.L., Pearson, S., Rittenhouse, S., Tew, D., Diez, E., Perez, P., de la Fuente, J., Rees, M., Rivera-Sagredo, A.
Deposit date:2000-12-01
Release date:2001-11-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
1KR3
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CRYSTAL STRUCTURE OF THE METALLO BETA-LACTAMASE FROM BACTEROIDES FRAGILIS (CFIA) IN COMPLEX WITH THE TRICYCLIC INHIBITOR SB-236050.
Descriptor:beta-Lactamase, type II, ZINC ION, ...
Authors:Payne, D.J., Hueso-Rodrguez, J.A., Boyd, H., Concha, N.O., Janson, C.A., Gilpin, M., Bateson, J.H., Cheever, C., Niconovich, N.L., Pearson, S., Rittenhouse, S., Tew, D., Dez, E., Prez, P., de la Fuente, J., Rees, M., Rivera-Sagredo, A.
Deposit date:2002-01-08
Release date:2003-01-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
1NVQ
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THE COMPLEX STRUCTURE OF CHECKPOINT KINASE CHK1/UCN-01
Descriptor:Serine/threonine-protein kinase Chk1, Peptide ASVSA, SULFATE ION, ...
Authors:Zhao, B., Bower, M.J., McDevitt, P.J., Zhao, H., Davis, S.T., Johanson, K.O., Green, S.M., Concha, N.O., Zhou, B.B.
Deposit date:2003-02-04
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1NVR
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THE COMPLEX STRUCTURE OF CHECKPOINT KINASE CHK1/STAUROSPORINE
Descriptor:Serine/threonine-protein kinase Chk1, Peptide ASVSA, SULFATE ION, ...
Authors:Zhao, B., Bower, M.J., McDevitt, P.J., Zhao, H., Davis, S.T., Johanson, K.O., Green, S.M., Concha, N.O., Zhou, B.B.
Deposit date:2003-02-04
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
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169963
PDB entries from 2020-10-14