1A1D
 
 | | YEAST RNA POLYMERASE SUBUNIT RPB8, NMR, MINIMIZED AVERAGE STRUCTURE, ALPHA CARBONS ONLY | | 分子名称: | RNA POLYMERASE | | 著者 | Krapp, S, Kelly, G, Reischl, J, Weinzierl, R, Matthews, S. | | 登録日 | 1997-12-10 | | 公開日 | 1999-03-02 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Eukaryotic RNA polymerase subunit RPB8 is a new relative of the OB family.
Nat.Struct.Biol., 5, 1998
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1QWJ
 | | The Crystal Structure of Murine CMP-5-N-Acetylneuraminic Acid Synthetase | | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, cytidine monophospho-N-acetylneuraminic acid synthetase | | 著者 | Krapp, S, Muenster-Kuehnel, A.K, Kaiser, J.T, Huber, R, Tiralongo, J, Gerardy-Schahn, R, Jacob, U. | | 登録日 | 2003-09-02 | | 公開日 | 2003-12-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The Crystal Structure of Murine CMP-5-N-acetylneuraminic Acid Synthetase
J.Mol.Biol., 334, 2003
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1H3X
 | | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G0F)2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-11-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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1H3T
 | | Crystal structure of the human igg1 fc-fragment,glycoform (mn2f)2 | | 分子名称: | IG GAMMA-1 CHAIN C REGION, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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1H3U
 | | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (M3N2F)2 | | 分子名称: | IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity.
J.Mol.Biol., 325, 2003
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1H3Y
 | | Crystal structure of a human IgG1 Fc-fragment,high salt condition | | 分子名称: | IG GAMMA-1 CHAIN C REGION, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity.
J.Mol.Biol., 325, 2003
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1H3V
 | | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G2F)2,SG P212121 | | 分子名称: | IG GAMMA-1 CHAIN C REGION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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1H3W
 | | Structural analysis of human IgG-Fc glycoforms reveals a correlation between glycosylation and structural integrity | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION | | 著者 | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | | 登録日 | 2002-09-19 | | 公開日 | 2003-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
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4NMH
 | | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | | 分子名称: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | | 登録日 | 2013-11-15 | | 公開日 | 2014-03-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
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5LVX
 | | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | | 登録日 | 2016-09-14 | | 公開日 | 2017-10-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
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3HHA
 | | Crystal structure of cathepsin L in complex with AZ12878478 | | 分子名称: | ACETATE ION, Cathepsin L1, GLYCEROL, ... | | 著者 | Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S. | | 登録日 | 2009-05-15 | | 公開日 | 2009-06-23 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
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7B1O
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | | 分子名称: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | | 登録日 | 2020-11-25 | | 公開日 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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4DMX
 | | Cathepsin K inhibitor | | 分子名称: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | | 著者 | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | | 登録日 | 2012-02-08 | | 公開日 | 2012-07-11 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
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4DMY
 | | Cathepsin K inhibitor | | 分子名称: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | | 著者 | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | | 登録日 | 2012-02-08 | | 公開日 | 2012-07-11 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
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4EAW
 | | HCV NS5B in complex with IDX375 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ... | | 著者 | Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C. | | 登録日 | 2012-03-22 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | HCV NS5B in complex with IDX375
To be Published
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6Y9S
 | | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | | 分子名称: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | 登録日 | 2020-03-10 | | 公開日 | 2020-05-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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6Y9R
 | | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | | 分子名称: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | 登録日 | 2020-03-10 | | 公開日 | 2020-05-20 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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4WOT
 | | ROCK2 IN COMPLEX WITH 1426382-07-1 | | 分子名称: | Rho-associated protein kinase 2, methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate | | 著者 | Augustin, M, Krapp, S, Boland, S, Defert, O, Bourin, A, Alen, J, Leysen, D. | | 登録日 | 2014-10-16 | | 公開日 | 2015-05-06 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.
J. Med. Chem., 58, 2015
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3HWN
 | | CATHEPSIN L with AZ13010160 | | 分子名称: | Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | | 著者 | Kenny, P, Morley, A. | | 登録日 | 2009-06-18 | | 公開日 | 2009-09-15 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Design of selective Cathepsin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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7NVQ
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1GQF
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8BYU
 | | Crystal Structure of HexaBody-CD38 Fab in complex with CD38 | | 分子名称: | 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab Heavy Chain, ... | | 著者 | Freier, R, Krapp, S, Hibbert, R.G. | | 登録日 | 2022-12-14 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Preclinical anti-tumour activity of HexaBody-CD38, a next-generation CD38 antibody with superior complement-dependent cytotoxic activity.
Ebiomedicine, 93, 2023
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3SOS
 | | Benzothiazinone inhibitor in complex with FXIa | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ... | | 著者 | Fradera, X, Kazemier, B, Oubrie, A. | | 登録日 | 2011-06-30 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
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3SOR
 | | Factor XIa in complex with a clorophenyl-tetrazole inhibitor | | 分子名称: | CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | | 著者 | Kazemier, B, Oubrie, A. | | 登録日 | 2011-06-30 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
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7M7D
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | | 分子名称: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Leonard, P.G, Cross, J.B. | | 登録日 | 2021-03-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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