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7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
分子名称: CHLORIDE ION, Iripin-4 serpin
著者Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
登録日2022-03-22
公開日2023-03-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
7ZBF
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BU of 7zbf by Molmil
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
分子名称: Iripin-4 serpin, NICKEL (II) ION
著者Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
登録日2022-03-23
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
5JK4
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BU of 5jk4 by Molmil
Phosphate-Binding Protein from Stenotrophomonas maltophilia.
分子名称: Alkaline phosphatase, PHOSPHATE ION
著者Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
登録日2016-04-25
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
6SHY
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BU of 6shy by Molmil
Structure of L320A/H321S double mutant of Rex8A from Paenibacillus barcinonensis
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-08-08
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
5JPM
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BU of 5jpm by Molmil
Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF
分子名称: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
6SZ6
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BU of 6sz6 by Molmil
Chaetomium thermophilum beta-glucosidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ...
著者Mohsin, I, Poudel, N, Papageorgiou, A.C.
登録日2019-10-02
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.988 Å)
主引用文献Crystal Structure of a GH3 beta-Glucosidase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 20, 2019
6T65
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BU of 6t65 by Molmil
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
著者Rudraraju, R, 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 (2.35 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
6TJR
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BU of 6tjr by Molmil
Structure of HdrA-like subunit from Hyphomicrobium denitrificans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
著者Kayastha, K, Ermler, U, Dahl, C.
登録日2019-11-26
公開日2020-08-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans.
Febs J., 288, 2021
6TPP
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BU of 6tpp by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
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
3OXK
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BU of 3oxk by Molmil
Crystal structure of a histidine triad family protein from Entamoeba histolytica, bound to GMP
分子名称: ETHANOL, GUANOSINE-5'-MONOPHOSPHATE, Putative histidine triad family protein, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-21
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of a histidine triad family protein from Entamoeba histolytica bound to sulfate, AMP and GMP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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
3OMF
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BU of 3omf by Molmil
Crystal structure of a histidine triad family protein from Entamoeba histolytica, bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, Putative histidine triad family protein, ZINC ION
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-26
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of a histidine triad family protein from Entamoeba histolytica bound to sulfate, AMP and GMP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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
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
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
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

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