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8GAT
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BU of 8gat by Molmil
Structure of human NDS.1 Fab and 1G01 Fab in complex with influenza virus neuraminidase from A/Indiana/10/2011 (H3N2v), based on consensus cryo-EM map with only Fab 1G01 resolved
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1G01, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
8GAU
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Structure of human NDS.1 Fab and 1G01 Fab in complex with influenza virus neuraminidase from A/Indiana/10/2011 (H3N2v)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1G01, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
8GAV
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Structure of human NDS.3 Fab in complex with influenza virus neuraminidase from A/Darwin/09/2021 (H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab NDS.3, heavy chain, ...
著者Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M.
登録日2023-02-23
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-04-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6T8W
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Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6T8U
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Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine
分子名称: 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6T8V
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Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
分子名称: 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
4A92
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Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.
分子名称: (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE, SERINE PROTEASE NS3, ZINC ION
著者Schiering, N, D'Arcy, A, Simic, O, Eder, J, Raman, P, Svergun, D.I, Bodendorf, U.
登録日2011-11-23
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.
Proc.Natl.Acad.Sci.USA, 108, 2011
1TZS
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BU of 1tzs by Molmil
Crystal Structure of an activation intermediate of Cathepsin E
分子名称: 23-mer peptide from PelB-IgG kappa light chain fusion protein, Cathepsin E, activation peptide from Cathepsin E
著者Ostermann, N, Gerhartz, B, Worpenberg, S, Trappe, J, Eder, J.
登録日2004-07-12
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of an activation intermediate of cathepsin e
J.Mol.Biol., 342, 2004
6QSX
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BU of 6qsx by Molmil
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
分子名称: Complement factor B, SULFATE ION, ZINC ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-02-22
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QSW
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BU of 6qsw by Molmil
Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
分子名称: Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-02-22
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
5M8K
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BU of 5m8k by Molmil
Crystal structure of Eremococcus coleocola manganese transporter mutant E129Q
分子名称: Divalent metal cation transporter MntH
著者Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R.
登録日2016-10-29
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family.
Nat Commun, 8, 2017
5M8A
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BU of 5m8a by Molmil
Crystal structure of Eremococcus coleocola manganese transporter mutant E129A
分子名称: Divalent metal cation transporter MntH
著者Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R.
登録日2016-10-28
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family.
Nat Commun, 8, 2017
5M87
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Crystal structure of Eremococcus coleocola manganese transporter
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Divalent metal cation transporter MntH
著者Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R.
登録日2016-10-28
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family.
Nat Commun, 8, 2017
6IC7
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BU of 6ic7 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3
分子名称: 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6IC5
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Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
分子名称: (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6IC6
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BU of 6ic6 by Molmil
Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1
分子名称: (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
6EPM
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BU of 6epm by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1
分子名称: (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPP
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RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4
分子名称: GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPN
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Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2
分子名称: 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPO
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BU of 6epo by Molmil
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
分子名称: 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2DJG
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Re-determination of the native structure of human dipeptidyl peptidase I (cathepsin C)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl-peptidase 1, ...
著者Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J.
登録日2006-04-02
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
Biochem.J., 401, 2007
2DJF
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Crystal Structure of human dipeptidyl peptidase I (Cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
著者Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J.
登録日2006-04-02
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
Biochem.J., 401, 2007
2IWA
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Unbound glutaminyl cyclotransferase from Carica papaya.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLUTAMINE CYCLOTRANSFERASE, ...
著者Guevara, T, Mallorqui-Fernandez, N, Garcia-Castellanos, R, Petersen, G.E, Lauritzen, C, Pedersen, J, Arnau, J, Gomis-Ruth, F.X, Sola, M.
登録日2006-06-27
公開日2006-07-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Biol.Chem., 387, 2006
1C12
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INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE
分子名称: PROTEIN (ANTIBODY FRAGMENT FAB), TRAZEOLIDE
著者Langedijk, A.C, Spinelli, S, Anguille, C, Hermans, P, Nederlof, J, Butenandt, J, Honegger, A, Cambillau, C, Pluckthun, A.
登録日1999-07-20
公開日1999-08-14
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insight into odorant perception: the crystal structure and binding characteristics of antibody fragments directed against the musk odorant traseolide.
J.Mol.Biol., 292, 1999

 

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