7PZW
 
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7PZV
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7PZS
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7Q01
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7PZU
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7PZX
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7AI6
 | | MutS in mismatch bound state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein MutS | | 著者 | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | 登録日 | 2020-09-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | | 主引用文献 | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AI7
 | | MutS in Intermediate state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*CP*TP*TP*AP*GP*CP*TP*TP*AP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*TP*AP*AP*CP*TP*AP*AP*G)-3'), ... | | 著者 | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | 登録日 | 2020-09-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AIC
 | | MutS-MutL in clamp state (kinked clamp domain) | | 分子名称: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | | 著者 | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | 登録日 | 2020-09-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (5 Å) | | 主引用文献 | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AIB
 | | MutS-MutL in clamp state | | 分子名称: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | | 著者 | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | 登録日 | 2020-09-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AI5
 | | MutS in Scanning state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*AP*AP*TP*TP*CP*GP*CP*CP*CP*TP*AP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*TP*AP*GP*GP*GP*CP*GP*AP*AP*TP*TP*GP*GP*GP*TP*AP*CP*CP*G)-3'), ... | | 著者 | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | 登録日 | 2020-09-26 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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6YJM
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | | 分子名称: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | | 著者 | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | | 登録日 | 2020-04-03 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
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8OKU
 | | Salt-Inducible Kinase 3 in complex with an inhibitor | | 分子名称: | Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide | | 著者 | Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P. | | 登録日 | 2023-03-29 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
J.Med.Chem., 67, 2024
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3HRB
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone | | 著者 | Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. | | 登録日 | 2009-06-09 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
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2W3L
 | | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | | 分子名称: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | | 著者 | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | | 登録日 | 2008-11-13 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3MW1
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | 分子名称: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | | 著者 | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | | 登録日 | 2010-05-05 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
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3RIN
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | | 著者 | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | | 登録日 | 2011-04-14 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
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3S3I
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | 著者 | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | | 登録日 | 2011-05-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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