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7MPZ
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BU of 7mpz by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9
分子名称: CRISPR-associated endonuclease Cas9
著者D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
登録日2021-05-05
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and dynamic insights into the HNH nuclease of divergent Cas9 species.
J.Struct.Biol., 214, 2021
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
分子名称: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
4BO2
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BU of 4bo2 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution
分子名称: 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO5
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BU of 4bo5 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine, NICKEL (II) ION
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO4
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNU
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0A resolution
分子名称: 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO1
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(4-chloro-2,5- dimethoxyphenyl)quinoline-8-carboxamide at 2.2A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNX
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BU of 4bnx by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1H-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO3
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(3-(trifluoromethyl) anilino)pyridine-3-sulfonamide at 2.5A resolution
分子名称: 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NICKEL (II) ION
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO9
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BU of 4bo9 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy) phenyl)-2-phenyltetrazole at 2.9A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNW
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with an unknown ligand at 1. 6A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNV
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BU of 4bnv by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-chlorophenyl)-3-(1- methylbenzimidazol-2-yl)urea at 2.5A resolution
分子名称: 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in Resolution
Acs Chem.Biol., 8, 2013
4BO0
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BU of 4bo0 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4A resolution
分子名称: 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NICKEL (II) ION
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO7
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BU of 4bo7 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2,3-dihydro-1H-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO6
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BU of 4bo6 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution
分子名称: 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
分子名称: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
4BO8
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BU of 4bo8 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution
分子名称: 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, SULFATE ION
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNZ
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BU of 4bnz by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution
分子名称: 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNT
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BU of 4bnt by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
分子名称: 2-(trifluoromethyl)-1H-benzimidazole, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNY
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BU of 4bny by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4K2A
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BU of 4k2a by Molmil
Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase
著者Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F)
登録日2013-04-08
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites.
Acta Crystallogr.,Sect.D, 70, 2014
3O0U
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BU of 3o0u by Molmil
Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
分子名称: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-20
公開日2011-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3O1G
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BU of 3o1g by Molmil
Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group.
分子名称: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-21
公開日2010-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
7Z1A
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BU of 7z1a by Molmil
Nanobody H11 and F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 Nanobody, H11 Nanobody, ...
著者Mikolajek, H, Naismith, J.H.
登録日2022-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z1C
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Nanobody H11-B5 and H11-F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Nanobody B5, ...
著者Mikolajek, H, Naismith, J.H.
登録日2022-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022

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