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3BUH
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BACE-1 complexed with compound 4
分子名称: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
1MFQ
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BU of 1mfq by Molmil
Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition Particle
分子名称: 7S RNA of human SRP, CHLORIDE ION, MAGNESIUM ION, ...
著者Kuglstatter, A, Oubridge, C, Nagai, K.
登録日2002-08-13
公開日2002-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Induced structural changes of 7SL RNA during the assembly of human signal recognition particle
Nat.Struct.Biol., 9, 2002
1FNQ
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BU of 1fnq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> GLU FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
登録日2000-08-23
公開日2001-04-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
1F6N
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BU of 1f6n by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> TYR FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
登録日2000-06-22
公開日2001-04-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
1FNP
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BU of 1fnp by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> PHE FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
登録日2000-08-23
公開日2001-04-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
2OIB
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BU of 2oib by Molmil
Crystal structure of IRAK4 kinase domain apo form
分子名称: Interleukin-1 receptor-associated kinase 4
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OIC
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BU of 2oic by Molmil
Crystal structure of IRAK4 kinase domain complexed with staurosporine
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OID
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BU of 2oid by Molmil
Crystal structure of IRAK4 kinase domain complexed with AMPPNP
分子名称: Interleukin-1 receptor-associated kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
5HYI
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BU of 5hyi by Molmil
Glycosylated, disulfide-linked Hole-Hole Fc fragment
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)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HYE
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BU of 5hye by Molmil
Glycosylated Knob-Knob Fc fragment (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)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]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
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HYF
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BU of 5hyf by Molmil
Glycosylated Knob-Knob Fc fragment (P6122)
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]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
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HY9
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BU of 5hy9 by Molmil
Glycosylated, disulfide-linked Knob-into-Hole Fc fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-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, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]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
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
3PIY
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BU of 3piy by Molmil
Crystal structure of BTK kinase domain complexed with R406
分子名称: 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PIZ
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BU of 3piz by Molmil
Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone
分子名称: Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ3
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BU of 3pj3 by Molmil
Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide
分子名称: 2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ1
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BU of 3pj1 by Molmil
Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
分子名称: 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PIX
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BU of 3pix by Molmil
Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
分子名称: 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3PJ2
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BU of 3pj2 by Molmil
Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
3ODI
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BU of 3odi by Molmil
Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247
分子名称: Cyclophilin A, Voclosporin
著者Kuglstatter, A, Stihle, M, Benz, J, Hennig, M.
登録日2010-08-11
公開日2011-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Acta Crystallogr.,Sect.D, 67, 2011
3ODL
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BU of 3odl by Molmil
Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247
分子名称: Cyclophilin A, Voclosporin
著者Kuglstatter, A, Stihle, M, Benz, J, Hennig, M.
登録日2010-08-11
公開日2011-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Acta Crystallogr.,Sect.D, 67, 2011
3NPC
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BU of 3npc by Molmil
Crystal structure of JNK2 complexed with BIRB796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9
著者Kuglstatter, A, Ghate, M.
登録日2010-06-28
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
分子名称: 4-(2-aminoethyl)phenol, Beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2007-12-21
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BUF
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BU of 3buf by Molmil
BACE-1 complexed with compound 2
分子名称: 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BUG
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BU of 3bug by Molmil
BACE-1 complexed with compound 3
分子名称: 4-(2-aminoethyl)-2-ethylphenol, BETA-SECRETASE 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
4ZGX
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BU of 4zgx by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
分子名称: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ...
著者Kuglstatter, A, Joseph, C.
登録日2015-04-24
公開日2015-10-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015

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