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5G6T
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BU of 5g6t by Molmil
Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa
Descriptor: BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-07-15
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G5U
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BU of 5g5u by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa
Descriptor: BETA-HEXOSAMINIDASE
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-06-05
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5GIY
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BU of 5giy by Molmil
HSA-Palmitic acid-[RuCl5(ind)]2-
Descriptor: PALMITIC ACID, Serum albumin, pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)
Authors:Yang, F, Wang, T.
Deposit date:2016-06-25
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Structure of HSA-Palmitic acid-[RuCl5(ind)]2-
To Be Published
5GNM
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BU of 5gnm by Molmil
Cytochrome P450 Vdh (CYP107BR1) L348M mutant
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
2Z98
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BU of 2z98 by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in tetragonal crystals (The resolution has improved from 1.8 (1v4b) to 1.4 angstrom)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
2Z9C
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BU of 2z9c by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
5GOR
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BU of 5gor by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120
Descriptor: Alkaline Invertase, GLYCEROL, SULFATE ION
Authors:Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
Deposit date:2016-07-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.673 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
J. Biol. Chem., 291, 2016
5G27
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BU of 5g27 by Molmil
Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at Room Temperature
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ENDOLYSIN, ...
Authors:Gohlke, U, Consentius, P, Loll, B, Mueller, R, Kaupp, M, Heinemann, U, Risse, T.
Deposit date:2016-04-07
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-Ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
5GQE
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BU of 5gqe by Molmil
Crystal structure of michaelis complex of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86
Descriptor: Beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
Authors:Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A.
Deposit date:2016-08-07
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
5GRL
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BU of 5grl by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+), isocitrate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ISOCITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Ma, T, Ding, J.
Deposit date:2016-08-11
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
5GM4
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BU of 5gm4 by Molmil
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose
Descriptor: Endoglucanase-1, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-12
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
5HH4
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BU of 5hh4 by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
3BHJ
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BU of 3bhj by Molmil
Crystal structure of human Carbonyl Reductase 1 in complex with glutathione
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, Carbonyl reductase [NADPH] 1, ...
Authors:Rauh, D, Bateman, R.L, Shokat, K.M.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
4EF3
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BU of 4ef3 by Molmil
Multicopper Oxidase CueO (Citrate buffer)
Descriptor: Blue copper oxidase CueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y.
Deposit date:2012-03-29
Release date:2013-05-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exogenous acetate ion reaches the type II copper centre in CueO through the water-excretion channel and potentially affects the enzymatic activity.
Acta Crystallogr.,Sect.F, 72, 2016
5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
Descriptor: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
Authors:Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
3BHM
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BU of 3bhm by Molmil
Crystal structure of human Carbonyl Reductase 1 in complex with S-hydroxymethylglutathione
Descriptor: 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, Carbonyl reductase [NADPH] 1, ...
Authors:Bateman, R.L, Rauh, D, Shokat, K.M.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
5FXY
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BU of 5fxy by Molmil
Structure of the human RBBP4:MTA1(464-546) complex
Descriptor: HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1
Authors:Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R.
Deposit date:2016-03-03
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
5FSD
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BU of 5fsd by Molmil
1.75 A resolution 2,5-dihydroxybenzensulfonate inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, 2,5-dihydroxybenzenesulfonic acid, HYDROXIDE ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2016-01-04
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface.
Dalton Trans, 45, 2016
5FYD
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BU of 5fyd by Molmil
Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity
Descriptor: GLYCEROL, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
Authors:Savino, S, Ferrandi, E, Forneris, F, Rovida, S, Riva, S, Monti, D, Mattevi, A.
Deposit date:2016-03-07
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Insights Into 7Beta-Hydroxysteroid Dehydrogenase Stereoselectivity.
Proteins, 84, 2016
5FB3
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BU of 5fb3 by Molmil
Structure of glycerophosphate dehydrogenase in complex with NADPH
Descriptor: Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYROPHOSPHATE, ...
Authors:Sakuraba, H, Hayashi, J, Yamamoto, K, Yoneda, K, Ohshima, T.
Deposit date:2015-12-14
Release date:2016-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Unique coenzyme binding mode of hyperthermophilic archaeal sn-glycerol-1-phosphate dehydrogenase from Pyrobaculum calidifontis
Proteins, 84, 2016
5FES
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BU of 5fes by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
Descriptor: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF2
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BU of 5ff2 by Molmil
HydE from T. maritima in complex with (2R,4R)-TDA
Descriptor: (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FGJ
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BU of 5fgj by Molmil
Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453
Descriptor: FE (III) ION, MAGNESIUM ION, Phenylalanine-4-hydroxylase
Authors:Taylor, A.B, Roberts, K.M, Fitzpatrick, P.F.
Deposit date:2015-12-20
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
5FI3
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BU of 5fi3 by Molmil
HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tetrahydroalstonine synthase, ...
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-22
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5FJB
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BU of 5fjb by Molmil
Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site
Descriptor: GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P.
Deposit date:2015-10-07
Release date:2016-03-16
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site.
Nat.Commun., 7, 2016

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