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6T5X
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BU of 6t5x by Molmil
Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6P
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BU of 6t6p by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution
分子名称: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T7M
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BU of 6t7m by Molmil
Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6N
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BU of 6t6n by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ...
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-21
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
3FUB
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BU of 3fub by Molmil
Crystal structure of GDNF-GFRalpha1 complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Parkash, V, Goldman, A.
登録日2009-01-14
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Comparison of GFL-GFRalpha complexes: further evidence relating GFL bend angle to RET signalling
Acta Crystallogr.,Sect.F, 65, 2009
7AXZ
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BU of 7axz by Molmil
Ku70/80 complex apo form
分子名称: X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Hnizda, A, Tesina, P, Novak, P, Blundell, T.L.
登録日2020-11-10
公開日2021-02-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SAP domain forms a flexible part of DNA aperture in Ku70/80.
Febs J., 288, 2021
8EJN
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BU of 8ejn by Molmil
Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol
分子名称: 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
著者Aktar, M.S, de Serrano, V.S, Franzen, S.
登録日2022-09-17
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
著者Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
登録日2020-12-09
公開日2021-04-07
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
6TV2
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BU of 6tv2 by Molmil
Heme d1 biosynthesis associated Protein NirF
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Protein NirF, ...
著者Kluenemann, T, Layer, G, Blankenfeldt, W.
登録日2020-01-08
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6TYR
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BU of 6tyr by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with a close conformation of its beta-hairpin
分子名称: CITRIC ACID, COPPER (II) ION, GLYCEROL, ...
著者Miranda-Blancas, R, Rudino-Pinera, E.
登録日2019-08-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献The beta-hairpin from the Thermus thermophilus HB27 laccase works as a pH-dependent switch to regulate laccase activity.
J.Struct.Biol., 213, 2021
6TV9
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BU of 6tv9 by Molmil
Heme d1 biosynthesis associated Protein NirF in complex with dihydro-heme d1
分子名称: HEME D, Protein NirF,Protein NirF
著者Kluenemann, T, Layer, G, Blankenfeldt, W.
登録日2020-01-09
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6UBQ
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BU of 6ubq by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-09-12
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2991 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCW
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BU of 6ucw by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-17
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TZD
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BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-08-12
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4507 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EZW
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BU of 6ezw by Molmil
Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group C2
分子名称: VHH antibody BCD090-M2
著者Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B.
登録日2017-11-16
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59842849 Å)
主引用文献Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
6U4I
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BU of 6u4i by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K
分子名称: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-08-25
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5005 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EX7
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BU of 6ex7 by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
分子名称: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
著者Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
登録日2017-11-07
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7BR9
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BU of 7br9 by Molmil
Crystal structure of mus musculus IRG1
分子名称: Cis-aconitate decarboxylase
著者Park, H.H, Chun, H.L.
登録日2020-03-27
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The crystal structure of mouse IRG1 suggests that cis-aconitate decarboxylase has an open and closed conformation.
Plos One, 15, 2020
6EVG
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BU of 6evg by Molmil
Structural and Functional Characterisation of a Bacterial Laccase-like Multi-copper Oxidase CueO from Lignin-Degrading Bacterium Ochrobactrum sp. with Oxidase Activity towards Lignin Model Compounds and Lignosulfonate
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Multi-copper Oxidase CueO
著者Fulop, V, Wilkinson, R.
登録日2017-11-01
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and functional characterisation of multi-copper oxidase CueO from lignin-degrading bacterium Ochrobactrum sp. reveal its activity towards lignin model compounds and lignosulfonate.
FEBS J., 285, 2018
6UCN
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BU of 6ucn by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K
分子名称: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-16
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCY
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BU of 6ucy by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-18
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020

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件を2024-05-22に公開中

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