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6FER
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CRYSTAL STRUCTURE OF HUMAN DDR2 KINASE IN COMPLEX WITH 2-[4,5-DIFLUORO-2-OXO-1'-(1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBONYL)SPIRO[INDOLE-3,4'-PIPERIDINE]-1-YL]-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE
Descriptor:Discoidin domain-containing receptor 2, 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEW
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DDR1, 2-[8-(1H-INDAZOLE-5-CARBONYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL]-N-METHYLACETAMIDE, 1.440A, P1211, RFREE=24.1%
Descriptor:Epithelial discoidin domain-containing receptor 1, 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEX
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DDR1, 2-[4-BROMO-2-OXO-1'-(1H-PYRAZOLO[4,3-B]PYRIDINE-5-CARBONYL)SPIRO[INDOLE-3,4'-PIPERIDINE]-1-YL]-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE, 1.291A, P212121, RFREE=17.4%
Descriptor:Epithelial discoidin domain-containing receptor 1, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, IODIDE ION, ...
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIL
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DDR1, 2-[8-(1H-INDAZOLE-5-CARBONYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL]-N-METHYLACETAMIDE, 1.730A, P212121, RFREE=24.5%
Descriptor:Epithelial discoidin domain-containing receptor 1, 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, IODIDE ION
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIM
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DDR1, 2-[8-(1H-INDAZOLE-5-CARBONYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL]-N-METHYLACETAMIDE, 1.440A, P1211, RFREE=24.1%
Descriptor:Epithelial discoidin domain-containing receptor 1, 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIN
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DDR1, 3-[(3-CYCLOPROPYL-1,2,4-OXADIAZOL-5-YL)METHYL]-8-(1H-INDAZOLE-5-CARBONYL)-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE, 1.670A, P1211, RFREE=22.8%
Descriptor:Epithelial discoidin domain-containing receptor 1, IODIDE ION, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIO
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DDR1, 2-[1'-(1H-INDAZOLE-5-CARBONYL)-4-METHYL-2-OXOSPIRO[INDOLE-3,4'-PIPERIDINE]-1-YL]-N-(2,2,2-TRIFLUOROETHYL)ACETAMIDE, 1.990A, P6522, RFREE=27.7%
Descriptor:Epithelial discoidin domain-containing receptor 1, 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIQ
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DDR1, 1-(1H-INDAZOLE-5-CARBONYL)-5'-METHOXY-1'-[2-OXO-2-[(2S)-2-(TRIFLUOROMETHYL)PYRROLIDIN-1-YL]ETHYL]SPIRO[PIPERIDINE-4,3'-PYRROLO[3,2-B]PYRIDINE]-2'-ONE, 1.790A, P212121, RFREE=23.8%
Descriptor:Epithelial discoidin domain-containing receptor 1, 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION
Authors:Stihle, M., Richter, H., Benz, J., Kuhn, B., Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FNZ
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CRYSTAL STRUCTURE OF DOMAIN-SWAPPED C-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor:Neuronal migration protein doublecortin, possible peptide
Authors:Stihle, M., Benz, J., Rudolph, M.G.
Deposit date:2018-02-05
Release date:2018-04-04
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Domain swap in the C-terminal ubiquitin-like domain of human doublecortin.
Acta Crystallogr D Struct Biol, 74, 2018
3ZKX
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TERNARY BACE2 XAPERONE COMPLEX
Descriptor:BETA-SECRETASE 2, XA4813, XA4815, ...
Authors:Kuglstatter, A., Banner, D.W., Benz, J., Bertschinger, J., Burger, D., Cuppuleri, S., Debulpaep, M., Gast, A., Grabulovski, D., Gsell, B., Hilpert, H., Huber, W., Kusznir, E., Laeremans, T., Matile, H., Rufer, A., Schlatter, D., Steyeart, J., Stihle, M., Thoma, R., Weber, M., Ruf, A.
Deposit date:2013-01-25
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
5M5E
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CRYSTAL STRUCTURE OF A INTERLEUKIN-2 VARIANT IN COMPLEX WITH INTERLEUKIN-2 RECEPTOR
Descriptor:Interleukin-2 receptor subunit beta, Cytokine receptor common subunit gamma, Interleukin-2, ...
Authors:Klein, C., Freimoser-Grundschober, A., Waldhauer, I., Stihle, M., Birk, M., Benz, J.
Deposit date:2016-10-21
Release date:2017-05-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
1NU6
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPP-IV)
Descriptor:Dipeptidyl peptidase IV, N-ACETYL-D-GLUCOSAMINE, MERCURY (II) ION, ...
Authors:Hennig, M., Stihle, M., Thoma, R., Ruf, A.
Deposit date:2003-01-31
Release date:2003-08-26
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
1NU8
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPP-IV) IN COMPLEX WITH DIPROTIN A (IPI)
Descriptor:Dipeptidyl peptidase IV, 3-mer peptide, N-ACETYL-D-GLUCOSAMINE
Authors:Thoma, R., Loeffler, B., Stihle, M., Huber, W., Ruf, A., Hennig, M.
Deposit date:2003-01-31
Release date:2003-08-26
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
2BIT
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CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN D AT 1.7 A RESOLUTION
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Hennig, M., Thoma, R., Stihle, M., Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
2BIU
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CRYSTAL STRUCTURE OF HUMAN CYCLOPHILIN D AT 1.7 A RESOLUTION, DMSO COMPLEX
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, DIMETHYL SULFOXIDE
Authors:Hennig, M., Thoma, R., Stihle, M., Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
2BOK
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FACTOR XA - CATION
Descriptor:COAGULATION FACTOR X, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM, SODIUM ION
Authors:Morgenthaler, M., Schaerer, K., Paulini, R., Obst-Sander, U., Banner, D.W., Schlatter, D., Benz, J., Stihle, M., Diederich, F.
Deposit date:2005-04-12
Release date:2005-06-16
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
2DEB
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CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN SPACE GROUP C2221
Descriptor:Carnitine O-palmitoyltransferase II, mitochondrial, COENZYME A, ...
Authors:Rufer, A.C., Thoma, R., Benz, J., Stihle, M., Gsell, B., De Roo, E., Banner, D.W., Mueller, F., Chomienne, O., Hennig, M.
Deposit date:2006-02-10
Release date:2007-02-10
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FVJ
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A NOVEL ANTI-ADIPOGENIC PARTIAL AGONIST OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-GAMMA (PPARG) RECRUITS PPARG-COACTIVATOR-1 ALPHA (PGC1A) BUT POTENTIATES INSULIN SIGNALING IN VITRO
Descriptor:Peroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, ...
Authors:Benz, J., Burgermeister, E., Flament, A., Schnoebelen, A., Stihle, M., Gsell, B., Rufer, A., Ruf, A., Kuhn, B., Maerki, H.P., Mizrahi, J., Sebokova, E., Niesor, E., Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
2FW3
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CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH ANTIDIABETIC DRUG ST1326
Descriptor:Carnitine O-palmitoyltransferase II, mitochondrial, (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE
Authors:Rufer, A.C., Thoma, R., Benz, J., Stihle, M., Gsell, B., De Roo, E., Banner, D.W., Mueller, F., Chomienne, O., Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FYO
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CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN SPACE GROUP P43212
Descriptor:Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C., Thoma, R., Benz, J., Stihle, M., Gsell, B., De Roo, E., Banner, D.W., Mueller, F., Chomienne, O., Hennig, M.
Deposit date:2006-02-08
Release date:2007-02-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
3MNE
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CRYSTAL STRUCTURE OF THE AGONIST FORM OF MOUSE GLUCOCORTICOID RECEPTOR STABILIZED BY F608S MUTATION AT 1.96A
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2 peptide, GLYCEROL, ...
Authors:Schoch, G.A., Seitz, T., Benz, J., Banner, D., Stihle, M., D'Arcy, B., Thoma, R., Sterner, R., Hennig, M., Ruf, A.
Deposit date:2010-04-21
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MNO
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CRYSTAL STRUCTURE OF THE AGONIST FORM OF MOUSE GLUCOCORTICOID RECEPTOR STABILIZED BY (A611V, F608S) MUTATIONS AT 1.55A
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2 peptide, GLYCEROL, ...
Authors:Schoch, G.A., Seitz, T., Benz, J., Banner, D., Stihle, M., D'Arcy, B., Thoma, R., Sterner, R., Hennig, M., Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MNP
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CRYSTAL STRUCTURE OF THE AGONIST FORM OF MOUSE GLUCOCORTICOID RECEPTOR STABILIZED BY (A611V, V708A, E711G) MUTATIONS AT 1.50A
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2 peptide, GLYCEROL, ...
Authors:Schoch, G.A., Seitz, T., Benz, J., Banner, D., Stihle, M., D'Arcy, B., Thoma, R., Sterner, R., Hennig, M., Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3NWB
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RAT COMT IN COMPLEX WITH A FLUORINATED DESOXYRIBOSE-CONTAINING BISUBSTRATE INHIBITOR AVOIDS HYDROXYL GROUP
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Schlatter, D., Stihle, M., Benz, J., Rudolph, M.G.
Deposit date:2010-07-09
Release date:2011-08-03
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3NWE
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RAT COMT IN COMPLEX WITH A METHYLATED DESOXYRIBOSE BISUBSTRATE-CONTAINING INHIBITOR AVOIDS HYDROXYL GROUP
Descriptor:Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Ehler, A., Schlatter, D., Stihle, M., Benz, J., Rudolph, M.G.
Deposit date:2010-07-09
Release date:2011-08-03
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012