3KPY
 
 | | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3KQV
 | | Crystal Structure of hPNMT in Complex AdoHcy and Formanilide | | Descriptor: | FORMANILIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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1HNN
 | | CRYSTAL STRUCTURE OF HUMAN PNMT COMPLEXED WITH SK&F 29661 AND ADOHCY(SAH) | | Descriptor: | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE, PHENYLETHANOLAMINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Martin, J.L, Begun, J, McLeish, M.J, Caine, J.M, Grunewald, G.L. | | Deposit date: | 2000-12-07 | | Release date: | 2001-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT.
Structure, 9, 2001
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1HR3
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1HLA
 | | STRUCTURE OF THE HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN, HLA-A2 | | Descriptor: | BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2) (ALPHA CHAIN) | | Authors: | Bjorkman, P.J, Saper, M.A, Samraoui, B, Bennett, W.S, Strominger, J.L, Wiley, D.C. | | Deposit date: | 1987-10-15 | | Release date: | 1988-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the human class I histocompatibility antigen, HLA-A2.
Nature, 329, 1987
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1HSB
 | | DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE | | Descriptor: | ALANINE, ARGININE, BOUND PEPTIDE FRAGMENT, ... | | Authors: | Guo, H.-C, Strominger, J.L, Wiley, D.C. | | Deposit date: | 1993-03-30 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Nature, 360, 1992
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3EFL
 | | Crystal structure of the VEGFR2 kinase domain in complex with motesanib | | Descriptor: | N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Kim, J.L, Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-09-09 | | Release date: | 2009-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Motesanib
To be Published
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1T9P
 | | Crystal Structure of V44A, G45P Cp Rubredoxin | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | | Deposit date: | 2004-05-18 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential.
Proteins, 57, 2004
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1T0W
 | | 25 NMR structures of Truncated Hevein of 32 aa (Hevein-32) complex with N,N,N-triacetylglucosamina | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevein | | Authors: | Aboitiz, N, Vila-Perello, M, Groves, P, Asensio, J.L, Andreu, D, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2004-04-13 | | Release date: | 2004-09-28 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides
Chembiochem, 5, 2004
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2DFP
 | | X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kryger, G, Millard, C.B, Silman, I, Sussman, J.L. | | Deposit date: | 1998-12-07 | | Release date: | 1999-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level.
Biochemistry, 38, 1999
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1BOQ
 | | PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE | | Descriptor: | PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION | | Authors: | Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A. | | Deposit date: | 1998-08-05 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
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2BRZ
 | | SOLUTION NMR STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BRAZZEIN | | Authors: | Caldwell, J.E, Abildgaard, F, Dzakula, Z, Ming, D, Hellekant, G, Markley, J.L. | | Deposit date: | 1998-04-30 | | Release date: | 1998-07-01 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the thermostable sweet-tasting protein brazzein.
Nat.Struct.Biol., 5, 1998
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1U65
 | | Ache W. CPT-11 | | Descriptor: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Harel, M, Hyatt, J.L, Brumshtein, B, Morton, C.L, Wadkins, R.W, Silman, I, Sussman, J.L, Potter, P.M, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2004-07-29 | | Release date: | 2005-07-19 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action
Mol.Pharmacol., 67, 2005
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2BYV
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1T9O
 | | Crystal Structure of V44G Cp Rubredoxin | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | | Deposit date: | 2004-05-18 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential.
Proteins, 57, 2004
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4OL7
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2ATC
 | | CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, REGULATORY CHAIN, ... | | Authors: | Honzatko, R.B, Crawford, J.L, Monaco, H.L, Ladner, J.E, Edwards, B.F.P, Evans, D.R, Warren, S.G, Wiley, D.C, Ladner, R.C, Lipscomb, W.N. | | Deposit date: | 1982-03-24 | | Release date: | 1982-12-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli.
J.Mol.Biol., 160, 1982
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1A2M
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6TJP
 | | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121 | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure.
Acta Crystallogr D Struct Biol, 77, 2021
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1L7F
 | | Crystal structure of influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1T9Q
 | | Crystal Structure of V44L Cp Rubredoxin | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | | Deposit date: | 2004-05-18 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential.
Proteins, 57, 2004
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1JR5
 | | Solution Structure of the Anti-Sigma Factor AsiA Homodimer | | Descriptor: | 10 KDA Anti-Sigma Factor | | Authors: | Urbauer, J.L, Simeonov, M.F, Bieber Urbauer, R.J, Adelman, K, Gilmore, J.M, Brody, E.N. | | Deposit date: | 2001-08-10 | | Release date: | 2002-02-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and stability of the anti-sigma factor AsiA: implications for novel functions.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2F3Z
 | | Calmodulin/IQ-AA domain complex | | Descriptor: | CALCIUM ION, Calmodulin, Voltage-dependent L-type calcium channel alpha-1C subunit | | Authors: | Fallon, J.L, Quiocho, F.A. | | Deposit date: | 2005-11-22 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Calmodulin Bound to the Hydrophobic IQ Domain of the Cardiac Ca(v)1.2 Calcium Channel.
Structure, 13, 2005
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2F3Y
 | | Calmodulin/IQ domain complex | | Descriptor: | CALCIUM ION, Calmodulin, MAGNESIUM ION, ... | | Authors: | Fallon, J.L, Quiocho, F.A. | | Deposit date: | 2005-11-22 | | Release date: | 2005-12-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of Calmodulin Bound to the Hydrophobic IQ Domain of the Cardiac Ca(v)1.2 Calcium Channel.
Structure, 13, 2005
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1WCI
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-11-16 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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