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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
Descriptor: CHLORIDE ION, Iripin-4 serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Iripin-4 serpin, NICKEL (II) ION
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: Alkaline phosphatase, PHOSPHATE ION
Authors:Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-08-08
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: 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
Authors:Croll, T.I, Andersen, G.R.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.75 Å)
Cite: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
Descriptor: 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, ...
Authors:Mohsin, I, Poudel, N, Papageorgiou, A.C.
Deposit date:2019-10-02
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.988 Å)
Cite: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
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
Authors:Kayastha, K, Ermler, U, Dahl, C.
Deposit date:2019-11-26
Release date:2020-08-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ETHANOL, GUANOSINE-5'-MONOPHOSPHATE, Putative histidine triad family protein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-09-21
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, Putative histidine triad family protein, ZINC ION
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-26
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ...
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Protein NirF, ...
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-08
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.561 Å)
Cite: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
Descriptor: CITRIC ACID, COPPER (II) ION, GLYCEROL, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2019-08-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.813 Å)
Cite: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
Descriptor: HEME D, Protein NirF,Protein NirF
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-09
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.893 Å)
Cite: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
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-09-12
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2991 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-17
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-25
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-12
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4507 Å)
Cite: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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