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2GGX
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BU of 2ggx by Molmil
Crystal structure of the trimer neck and carbohydrate recognition domain of human surfactant protein D in complex with p-nitrophenyl maltoside
分子名称: 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.
登録日2006-03-24
公開日2006-05-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contributions of Phenylalanine 335 to Ligand Recognition by Human Surfactant Protein D: ring interactions with Sp-D ligands
J.Biol.Chem., 281, 2006
2RID
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BU of 2rid by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with Allyl 7-O-carbamoyl-L-glycero-D-manno-heptopyranoside
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIB
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BU of 2rib by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with L-glycero-D-manno-heptose
分子名称: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose, Pulmonary surfactant-associated protein D
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIA
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BU of 2ria by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with D-glycero-D-manno-heptose
分子名称: CALCIUM ION, D-glycero-alpha-D-manno-heptopyranose, Pulmonary surfactant-associated protein D
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIC
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BU of 2ric by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with L-glycero-D-manno-heptopyranosyl-(1-3)-L-glycero-D-manno-heptopyranose
分子名称: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose, L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose, ...
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIE
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BU of 2rie by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with 2-deoxy-L-glycero-D-manno-heptose
分子名称: 2-deoxy-beta-L-galacto-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2GGU
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BU of 2ggu by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with maltotriose
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Head, J.F.
登録日2006-03-24
公開日2006-05-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contributions of Phenylalanine 335 to Ligand Recognition by Human Surfactant Protein D: ring interactions with Sp-D ligands
J.Biol.Chem., 281, 2006
3DBZ
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BU of 3dbz by Molmil
human surfactant protein D
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2008-06-02
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations.
Biochemistry, 47, 2008
2ORK
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BU of 2ork by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with inositol-1-phosphate
分子名称: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2007-02-02
公開日2007-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Critical Role of Arg/Lys343 in the Species-Dependent Recognition of Phosphatidylinositol by Pulmonary Surfactant Protein D.
Biochemistry, 46, 2007
3PAR
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BU of 3par by Molmil
Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-19
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
3PAK
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BU of 3pak by Molmil
Crystal Structure of Rat Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with Mannose
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ...
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-19
公開日2010-11-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
3G84
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BU of 3g84 by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of R343V mutant of human surfactant protein D in complex with alpha 1,2 dimannose.
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Head, J.F.
登録日2009-02-11
公開日2009-03-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
3PAQ
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BU of 3paq by Molmil
Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ...
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-19
公開日2010-11-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
3G83
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BU of 3g83 by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with alpha 1,2 dimannose.
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Head, J.F.
登録日2009-02-11
公開日2009-03-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
3PBF
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BU of 3pbf by Molmil
Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol
分子名称: CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-20
公開日2010-11-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
2ORJ
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BU of 2orj by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with N-acetyl mannosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-mannopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2007-02-02
公開日2007-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Critical Role of Arg/Lys343 in the Species-Dependent Recognition of Phosphatidylinositol by Pulmonary Surfactant Protein D.
Biochemistry, 46, 2007
3G81
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BU of 3g81 by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with alpha methyl mannoside
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, methyl alpha-D-mannopyranoside
著者Head, J.F.
登録日2009-02-11
公開日2009-03-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
2OS9
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BU of 2os9 by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with myoinositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2007-02-05
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Critical Role of Arg/Lys343 in the Species-Dependent Recognition of Phosphatidylinositol by Pulmonary Surfactant Protein D.
Biochemistry, 46, 2007
6DI3
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BU of 6di3 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
分子名称: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者GARDBERG, A.
登録日2018-05-22
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
6DI1
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BU of 6di1 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
分子名称: 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK
著者Jiang, X.
登録日2018-05-22
公開日2018-10-17
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
6DI9
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BU of 6di9 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
分子名称: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者GARDBERG, A.
登録日2018-05-23
公開日2018-09-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
6N9P
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BU of 6n9p by Molmil
Discovery of affinity-based probes for Btk occupancy assay
分子名称: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK
著者Mochalkin, I.
登録日2018-12-03
公開日2019-02-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery of Affinity-Based Probes for Btk Occupancy Assays.
ChemMedChem, 14, 2019
7R60
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BU of 7r60 by Molmil
BTK in complex with 18A
分子名称: 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
7R61
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BU of 7r61 by Molmil
BTK in complex with 25A
分子名称: 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
6OMU
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BU of 6omu by Molmil
Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib
分子名称: 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK
著者Mochalkin, I, Gardberg, A.S.
登録日2019-04-19
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019

 

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