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6FER
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BU of 6fer by Molmil
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
分子名称: 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, Discoidin domain-containing receptor 2
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献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%
分子名称: 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, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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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BU of 6fiq by Molmil
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%
分子名称: 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, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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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BU of 6few by Molmil
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%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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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BU of 6fio by Molmil
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%
分子名称: 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, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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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BU of 6fil by Molmil
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%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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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BU of 6fex by Molmil
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%
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, CHLORIDE ION, ...
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献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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BU of 6fnz by Molmil
Crystal Structure of domain-swapped C-terminal domain of human doublecortin
分子名称: Neuronal migration protein doublecortin, possible peptide
著者Stihle, M, Benz, J, Rudolph, M.G.
登録日2018-02-05
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Domain swap in the C-terminal ubiquitin-like domain of human doublecortin.
Acta Crystallogr D Struct Biol, 74, 2018
4GER
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BU of 4ger by Molmil
Crystal structure of Gentlyase, the neutral metalloprotease of Paenibacillus polymyxa
分子名称: CALCIUM ION, Gentlyase metalloprotease, LYSINE, ...
著者Ruf, A, Stihle, M, Benz, J, Schmidt, M, Sobek, H.
登録日2012-08-02
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure of Gentlyase, the neutral metalloprotease of Paenibacillus polymyxa.
Acta Crystallogr.,Sect.D, 69, 2013
3MNO
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BU of 3mno by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A
分子名称: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
登録日2010-04-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
5IP4
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BU of 5ip4 by Molmil
X-RAY STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin, XA4551 NANOBODY AGAINST C-DCX
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-09
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IO9
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BU of 5io9 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-08
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
分子名称: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
著者Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
登録日2016-03-03
公開日2016-05-18
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IOI
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BU of 5ioi by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-08
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IN7
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BU of 5in7 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-07
公開日2016-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5HYF
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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
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2024-01-10
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
1NU6
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BU of 1nu6 by Molmil
Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, MERCURY (II) ION
著者Hennig, M, Stihle, M, Thoma, R, Ruf, A.
登録日2003-01-31
公開日2003-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
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2024-01-10
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
1NU8
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BU of 1nu8 by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-mer peptide, Dipeptidyl peptidase IV
著者Thoma, R, Loeffler, B, Stihle, M, Huber, W, Ruf, A, Hennig, M.
登録日2003-01-31
公開日2003-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
登録日2016-10-21
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
4MZS
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BU of 4mzs by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S
著者Kuglstatter, A, Stihle, M.
登録日2013-09-30
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4MZO
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BU of 4mzo by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S
著者Kuglstatter, A, Stihle, M.
登録日2013-09-30
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
3SGK
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Unique carbohydrate/carbohydrate interactions are required for high affinity binding of FcgIII and antibodies lacking core fucose
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)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment, ...
著者Ferrara, C, Grau, S, Jaeger, C, Sondermann, P, Bruenker, P, Waldhauer, I, Hennig, M, Ruf, A, Rufer, A.C, Stihle, M, Umana, P, Benz, J.
登録日2011-06-15
公開日2011-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SGJ
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Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgIII and antibodies lacking core fucose
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ...
著者Ferrara, C, Grau, S, Jaeger, C, Sondermann, P, Bruenker, P, Waldhauer, I, Hennig, M, Ruf, A, Rufer, A.C, Stihle, M, Umana, P, Benz, J.
登録日2011-06-15
公開日2011-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose.
Proc.Natl.Acad.Sci.USA, 108, 2011

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