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2IJ2
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BU of 2ij2 by Molmil
Atomic structure of the heme domain of flavocytochrome P450-BM3
Descriptor: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Helen, H.S, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
4MOL
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BU of 4mol by Molmil
Pyranose 2-oxidase H167A mutant with 2-fluorinated galactose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-galactopyranose, DODECAETHYLENE GLYCOL, ...
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
5YHJ
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BU of 5yhj by Molmil
Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid
Descriptor: Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-09-28
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids
Catalysis Science And Technology, 2017
6J3X
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BU of 6j3x by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07 with Maltotriose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glucan 1,4-alpha-maltotetraohydrolase, ...
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2019-01-06
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Maltotetraose-forming amylase from Pseudomonas saccharophila STB07
To Be Published
7PSC
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BU of 7psc by Molmil
Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2021-09-22
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
6AJ8
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BU of 6aj8 by Molmil
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
Deposit date:2018-08-27
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
6AJG
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BU of 6ajg by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6J4H
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BU of 6j4h by Molmil
Crystal Structure of maltotriose-complex of PulA-G680L mutant from Klebsiella pneumoniae
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
3F7E
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BU of 3f7e by Molmil
MSMEG_3380 F420 Reductase
Descriptor: Pyridoxamine 5'-phosphate oxidase-related, FMN-binding
Authors:Jackson, C.J.
Deposit date:2008-11-08
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Identification and characterisation of two novel classes of F420-dependent reductases from Mycobacterium that degrade aflatoxin
To be Published
7WBE
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BU of 7wbe by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/MOSFLM)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2021-12-16
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
7Q4X
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BU of 7q4x by Molmil
Crystal Structure of Equine Serum Albumin in Complex with Cefaclor
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETATE ION, Albumin, ...
Authors:Duszynski, K, Sekula, B, Bujacz, A.
Deposit date:2021-11-02
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Binding of beta-lactam antibiotics by equine, caprine and ovine serum albumins
To Be Published
7WBD
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BU of 7wbd by Molmil
Crystal structure of lysozyme (multilcrystal diffraction, CrystFEL/XGANDALF)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2021-12-16
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
6ALV
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BU of 6alv by Molmil
Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound)
Descriptor: AZIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-08
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5YNA
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BU of 5yna by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM alpha-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
7WBF
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BU of 7wbf by Molmil
Crystal structure of lysozyme
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2021-12-16
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Processing of Multicrystal Diffraction Patterns in Macromolecular Crystallography Using Serial Crystallography Programs.
Crystals, 12, 2022
4QGS
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BU of 4qgs by Molmil
Substrate and cofactor-free form of the Aldehyde Reductase YqhD from E. coli.
Descriptor: Alcohol dehydrogenase YqhD, CHLORIDE ION, ZINC ION
Authors:LaMattina, J.W, Kapoor, S, Lanzilotta, W.N.
Deposit date:2014-05-24
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Open form of E. coli YqhD
To be Published
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
Descriptor: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-08-08
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
4L1X
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BU of 4l1x by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
6F88
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BU of 6f88 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone
Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6J79
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BU of 6j79 by Molmil
Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ...
Authors:Sugishima, M, Wada, K.
Deposit date:2019-01-17
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.331 Å)
Cite:Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
2RHT
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BU of 2rht by Molmil
Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3-Cl HOPDA
Descriptor: (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ...
Authors:Bhowmik, S, Bolin, J.T.
Deposit date:2007-10-09
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION.
J.Biol.Chem., 282, 2007
4PVD
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BU of 4pvd by Molmil
Crystal structure of yeast methylglyoxal/isovaleraldehyde reductase Gre2 complexed with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent methylglyoxal reductase GRE2
Authors:Guo, P.C, Bao, Z.Z, Li, W.F, Zhou, C.Z.
Deposit date:2014-03-17
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the cofactor-assisted substrate recognition of yeast methylglyoxal/isovaleraldehyde reductase Gre2
Biochim.Biophys.Acta, 1844, 2014
7QNP
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BU of 7qnp by Molmil
Designed Armadillo repeat protein N(A4)M4C(AII) co-crystallized with hen egg white lysozyme
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Designed Armadillo Repeat Protein N(A4)M4C(AII), ...
Authors:Michel, E, Mittl, P.R.E, Plueckthun, A.
Deposit date:2021-12-21
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.586 Å)
Cite:Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design.
Biochemistry, 62, 2023
7QFD
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BU of 7qfd by Molmil
Crystal structure of a bacterial pyranose 2-oxidase complex with D-glucose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, ...
Authors:Borges, P.T, Frazao, T, Taborda, A, Frazao, C, Martins, L.O.
Deposit date:2021-12-05
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
6J85
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BU of 6j85 by Molmil
Crystal structure of HinD apo
Descriptor: Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fei, H, Mori, T, Abe, I.
Deposit date:2019-01-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019

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