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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
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-06-22
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
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
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-08-23
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-08-23
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
1MFQ
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BU of 1mfq by Molmil
Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition Particle
Descriptor: 7S RNA of human SRP, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Kuglstatter, A, Oubridge, C, Nagai, K.
Deposit date:2002-08-13
Release date:2002-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Induced structural changes of 7SL RNA during the assembly of human signal recognition particle
Nat.Struct.Biol., 9, 2002
5HYI
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BU of 5hyi by Molmil
Glycosylated, disulfide-linked Hole-Hole Fc fragment
Descriptor: 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
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: 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
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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)
Descriptor: 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
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
2OIB
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BU of 2oib by Molmil
Crystal structure of IRAK4 kinase domain apo form
Descriptor: Interleukin-1 receptor-associated kinase 4
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Interleukin-1 receptor-associated kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
3PIY
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BU of 3piy by Molmil
Crystal structure of BTK kinase domain complexed with R406
Descriptor: 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
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Cyclophilin A, Voclosporin
Authors:Kuglstatter, A, Stihle, M, Benz, J, Hennig, M.
Deposit date:2010-08-11
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Cyclophilin A, Voclosporin
Authors:Kuglstatter, A, Stihle, M, Benz, J, Hennig, M.
Deposit date:2010-08-11
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: 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
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2010-06-28
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
3BUH
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BU of 3buh by Molmil
BACE-1 complexed with compound 4
Descriptor: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
Descriptor: 4-(2-aminoethyl)phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2007-12-21
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 4-(2-aminoethyl)-2-ethylphenol, BETA-SECRETASE 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
8A27
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BU of 8a27 by Molmil
EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide
Descriptor: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ...
Authors:Kuglstatter, A, Ehler, A.
Deposit date:2022-06-02
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022

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