1QDL
 
 | | THE CRYSTAL STRUCTURE OF ANTHRANILATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS | | Descriptor: | PROTEIN (ANTHRANILATE SYNTHASE (TRPE-SUBUNIT)), PROTEIN (ANTHRANILATE SYNTHASE (TRPG-SUBUNIT)) | | Authors: | Knoechel, T, Ivens, A, Hester, G, Gonzalez, A, Bauerle, R, Wilmanns, M, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1999-05-20 | | Release date: | 1999-08-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of anthranilate synthase from Sulfolobus solfataricus: functional implications.
Proc.Natl.Acad.Sci.USA, 96, 1999
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2BU5
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2BU6
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2BTZ
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2BU7
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2BU2
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2BU8
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ... | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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3L9H
 | | X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11 | | Authors: | Knoechel, T. | | Deposit date: | 2010-01-05 | | Release date: | 2010-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.
Bioorg.Med.Chem.Lett., 20, 2010
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1JUL
 | | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A SECOND ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | | Authors: | Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1996-05-03 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
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1JUK
 | | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A TRIGONAL CRYSTAL FORM | | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1996-05-03 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
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1I4N
 | | CRYSTAL STRUCTURE OF INDOLEGLYCEROL PHOSPHATE SYNTHASE FROM THERMOTOGA MARITIMA | | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Knoechel, T, Pappenberger, A, Jansonius, J.N, Kirschner, K. | | Deposit date: | 2001-02-22 | | Release date: | 2002-03-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of indoleglycerol-phosphate synthase from Thermotoga maritima. Kinetic stabilization by salt bridges.
J.Biol.Chem., 277, 2002
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2WON
 | | Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type). | | Descriptor: | 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H. | | Deposit date: | 2009-07-27 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
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5LYW
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine | | Descriptor: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2 | | Authors: | Musil, D, Heinrich, T, Knoechel, T, Lehmann, M. | | Deposit date: | 2016-09-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
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2C3Z
 | | Crystal structure of a truncated variant of indole-3-glycerol phosphate synthase from Sulfolobus solfataricus | | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Schneider, A, Knoechel, T, Darimont, B, Hennig, M, Dietrich, S, Kirschner, K, Sterner, R. | | Deposit date: | 2005-10-13 | | Release date: | 2005-10-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Role of the N-Terminal Extension of the (Betaalpha)(8)-Barrel Enzyme Indole-3-Glycerol Phosphate Synthase for its Fold, Stability, and Catalytic Activity.
Biochemistry, 44, 2005
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2WOM
 | | Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N). | | Descriptor: | 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H. | | Deposit date: | 2009-07-27 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.
Antimicrob. Agents Chemother., 54, 2010
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3C09
 | | Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Matuzumab Fab Heavy chain, ... | | Authors: | Ferguson, K.M, Schmiedel, J, Knoechel, T. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Matuzumab binding to EGFR prevents the conformational rearrangement required for dimerization.
Cancer Cell, 13, 2008
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3C08
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5HO8
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HO7
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HKM
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-14 | | Release date: | 2016-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HNG
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-18 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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