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8APY
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BU of 8apy by Molmil
Crystal structure of the H12A variant of the KDEL receptor bound to sybody
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ER lumen protein-retaining receptor 2, Synthetic nanobody
著者Parker, J.L, Smith, K, Newstead, S.
登録日2022-08-10
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of the H12A variant of the KDEL receptor bound to sybody
To Be Published
7JJL
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BU of 7jjl by Molmil
Crystal structure of Importin Alpha 3 in complex with human LSD1 NLS
分子名称: Importin subunit alpha-3, Lysine-specific histone demethylase 1A
著者Tu, W.J, McCuaig, R, Tan, H.Y.A, Hardy, K, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S.
登録日2020-07-27
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
2BM2
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BU of 2bm2 by Molmil
human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone
分子名称: 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE
著者Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H.
登録日2005-03-09
公開日2005-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
4PTT
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BU of 4ptt by Molmil
Crystal Structure of anti-23F strep Fab C05
分子名称: ACETATE ION, Antibody pn132p2C05, heavy chain, ...
著者Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F.
登録日2014-03-11
公開日2015-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
4PTU
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BU of 4ptu by Molmil
Crystal Structure of anti-23F strep Fab C05 with rhamnose
分子名称: ACETATE ION, Antibody pn132p2C05, heavy chain, ...
著者Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Smith, K, Schrader, J.W, Pai, E.F.
登録日2014-03-11
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
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
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
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
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2020-07-29
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
2VJ9
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BU of 2vj9 by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-07
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIZ
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BU of 2viz by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
2VJ6
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BU of 2vj6 by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIE
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BU of 2vie by Molmil
Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-11-30
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ7
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Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIY
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BU of 2viy by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
4BS9
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BU of 4bs9 by Molmil
Structure of the heterocyclase TruD
分子名称: TRUD, ZINC ION
著者Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H.
登録日2013-06-09
公開日2013-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
2N1E
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BU of 2n1e by Molmil
MAX1 peptide fibril
分子名称: MAX1 peptide
著者Nagy-Smith, K, Moore, E, Schneider, J, Tycko, R.
登録日2015-03-30
公開日2015-07-29
最終更新日2023-06-14
実験手法SOLID-STATE NMR
主引用文献Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FC8
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BU of 5fc8 by Molmil
Mouse importin alpha: Dengue 3 NS5 C-terminal NLS peptide complex
分子名称: Importin subunit alpha-1, Nonstructural protein 5
著者Smith, K.M, Forwood, J.K.
登録日2015-12-15
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
7Z5Q
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BU of 7z5q by Molmil
Crystal structure of human insulin, crystallised in the presence of macrophage migration inhibitory factor (MIF) and p-Hydroxyphenylpyruvate (HPP)
分子名称: Insulin, Insulin A chain, SULFATE ION
著者van den Elsen, J.M.H, Wahid, A.A, Crennell, S.J.
登録日2022-03-09
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dissociation of Hexameric Insulin Facilitated by Macrophage Migration Inhibitory Factor Indicates a Novel Role in Insulin Signalling
To Be Published
7Z5L
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BU of 7z5l by Molmil
Crystal structure of human insulin, crystallised in the presence of macrophage migration inhibitory factor (MIF) and dimethyl sulfoxide (DMSO)
分子名称: GLYCEROL, Insulin A chain, Insulin B chain, ...
著者van den Elsen, J.M.H, Wahid, A.A, Crennell, C.
登録日2022-03-09
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Dissociation of Hexameric Insulin Facilitated by Macrophage Migration Inhibitory Factor Indicates a Novel Role in Insulin Signalling
To Be Published
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2023-08-30
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
2GGU
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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2023-08-30
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
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAT
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Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016

 

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