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1UU3
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH LY333531
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-15
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU7
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-2
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU8
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-1
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU9
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-3
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Garrido-Franco, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UVR
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STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-8
Descriptor:3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION, ...
Authors:Komander, D., Garrido-Franco, M., Kular, G.S., Schuttelkopf, A.W., Deak, M., Prakash, K.R., Bain, J., Elliot, M., Kozikowski, A.P., Alessi, D.R., Van Aalten, D.M.F.
Deposit date:2004-01-22
Release date:2004-03-04
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1VOT
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ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A
Descriptor:ACETYLCHOLINESTERASE, Huperzine A
Authors:Raves, M.L., Harel, M., Silman, I., Sussman, J.L.
Deposit date:1996-06-23
Release date:1997-06-16
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
1H22
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH (S,S)-(-)-BIS(10)-HUPYRIDONE AT 2.15A RESOLUTION
Descriptor:ACETYLCHOLINESTERASE, (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, N-ACETYL-D-GLUCOSAMINE
Authors:Wong, D.M., Greenblatt, H.M., Carlier, P.R., Han, Y.-F., Pang, Y.-P., Silman, I., Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
1H23
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH (S,S)-(-)-BIS(12)-HUPYRIDONE AT 2.15A RESOLUTION
Descriptor:ACETYLCHOLINESTERASE, (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, N-ACETYL-D-GLUCOSAMINE
Authors:Wong, D.M., Greenblatt, H.M., Carlier, P.R., Han, Y.F., Pang, Y.P., Silman, I., Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
2ACE
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NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
Descriptor:ACETYLCHOLINESTERASE, ACETYLCHOLINE
Authors:Harel, M., Raves, M.L., Silman, I., Sussman, J.L.
Deposit date:1996-06-23
Release date:1996-11-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
2QIO
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X-RAY STRUCTURE OF ENOYL-ACYL CARRIER PROTEIN REDUCTASE FROM BACILLUS ANTHRACIS WITH TRICLOSAN
Descriptor:Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Klein, G.M., Santarsiero, B.D., Mesecar, A.D.
Deposit date:2007-07-05
Release date:2008-07-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
3D7D
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A HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN A COMPLEX WITH DCFBD, A UREA-BASED INHIBITOR
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Lubkowski, J., Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
3D7F
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A HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN A COMPLEX WITH DCIT, A UREA-BASED INHIBITOR
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Lubkowski, J., Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
3D7G
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A HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN A COMPLEX WITH DCMC, A UREA-BASED INHIBITOR
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Lubkowski, J., Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
3D7H
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A HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN A COMPLEX WITH DCIBZL, A UREA-BASED INHIBITOR
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Lubkowski, J., Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
3NJ8
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CRYSTAL STRUCTURE OF T. GONDII ENOYL ACYL CARRIER PROTEIN REDUCTASE WITH BOUND TRICLOSAN LIKE INHIBITOR
Descriptor:Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Authors:Muench, S.P., Ruzheinikov, S.N., Rice, D.W.
Deposit date:2010-06-17
Release date:2010-09-29
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.
J.Med.Chem., 53, 2010
4B5D
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CAPITELLA TELETA ACHBP IN COMPLEX WITH PSYCHONICLINE (3-((2(S)- AZETIDINYL)METHOXY)-5-((1S,2R)-2-(2-HYDROXYETHYL)CYCLOPROPYL)PYRIDINE)
Descriptor:CAPITELLA TELETA ACHBP, N-ACETYL-D-GLUCOSAMINE, 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol
Authors:Nys, M., Ulens, C.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Insights Into the Structural Determinants Required for High- Affinity Binding of Chiral Cyclopropane-Containing Ligands to Alpha4Beta2-Nicotinic Acetylcholine Receptors: An Integrated Approach to Behaviorally Active Nicotinic Ligands.
J.Med.Chem., 55, 2012
5OF0
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X-RAY STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII), THE E424M INACTIVE MUTANT, IN COMPLEX WITH A INHIBITOR CFBZOG
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Novakova, Z., Motlova, L., Barinka, C.
Deposit date:2017-07-10
Release date:2018-08-01
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6H7Y
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X-RAY STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN COMPLEX WITH A INHIBITOR RNA 1-79-1
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Motlova, L., Novakova, Z., Barinka, C.
Deposit date:2018-07-31
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6H7Z
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X-RAY STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN COMPLEX WITH A INHIBITOR RNA 2-65-1
Descriptor:Glutamate carboxypeptidase 2, ZINC ION, CALCIUM ION, ...
Authors:Motlova, L., Novakova, Z., Barinka, C.
Deposit date:2018-07-31
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6HKJ
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X-RAY STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN COMPLEX WITH A INHIBITOR RNA 2-19-1
Descriptor:Glutamate carboxypeptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Motlova, L., Novakova, Z., Barinka, C.
Deposit date:2018-09-06
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6HKZ
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X-RAY STRUCTURE OF HUMAN GLUTAMATE CARBOXYPEPTIDASE II (GCPII) IN COMPLEX WITH A INHIBITOR RNA 2-49-1
Descriptor:Glutamate carboxypeptidase 2, ZINC ION, CALCIUM ION, ...
Authors:Motlova, L., Novakova, Z., Barinka, C.
Deposit date:2018-09-09
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6MR5
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CRYSTAL STRUCTURE OF DANIO RERIO HISTONE DEACETYLASE 6 CATALYTIC DOMAIN 2 IN COMPLEX WITH A MERCAPTOACETAMIDE-BASED INHIBITOR
Descriptor:Hdac6 protein, ZINC ION, POTASSIUM ION, ...
Authors:Porter, N.J., Christianson, D.W.
Deposit date:2018-10-11
Release date:2018-12-05
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.
ACS Med Chem Lett, 9, 2018
1GQR
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ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ...
Authors:Raves, M.L., Harel, M., Silman, I., Sussman, J.L.
Deposit date:2001-12-04
Release date:2002-03-15
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine
Biochemistry, 41, 2002
1ODC
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
Authors:Wong, D.M., Greenblatt, H.M., Carlier, P.R., Han, Y.-F., Pang, Y.-P., Silman, I., Sussman, J.L.
Deposit date:2003-02-15
Release date:2005-03-23
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
1UT6
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.4 ANGSTROMS RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE
Authors:Brumshtein, B., Wong, D.M., Greenblatt, H.M., Carlier, P.R., Pang, Y.-P., Silman, I., Sussman, J.L.
Deposit date:2003-12-04
Release date:2005-04-21
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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