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7WDE
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BU of 7wde by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
2VT0
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BU of 2vt0 by Molmil
X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells
Descriptor: (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLUCOSYLCERAMIDASE, SULFATE ION, ...
Authors:Brumshtein, B, Greenblatt, H.M, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L.
Deposit date:2008-05-03
Release date:2008-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy.
Biol.Chem., 389, 2008
7W1P
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BU of 7w1p by Molmil
Deactive state CI from Q10-NADH dataset, Subclass 2
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Gu, J.K, Yang, M.J.
Deposit date:2021-11-19
Release date:2022-12-28
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
3F5J
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BU of 3f5j by Molmil
Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, SULFATE ION, ...
Authors:Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J.
Deposit date:2008-11-03
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase
J.Struct.Biol., 173, 2011
7QTB
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BU of 7qtb by Molmil
S1 nuclease from Aspergillus oryzae in complex with cytidine-5'-monophosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J.
Deposit date:2022-01-14
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022
7WDI
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BU of 7wdi by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
5YKY
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BU of 5yky by Molmil
Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked with 10 mM Rose Bengal and 10mM H2PtCl6
Descriptor: CHLORIDE ION, Lysozyme C, PLATINUM (II) ION, ...
Authors:Tabe, H, Takahashi, H, Shimoi, T, Abe, S, Ueno, T, Yamada, Y.
Deposit date:2017-10-16
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Photocatalytic hydrogen evolution systems constructed in cross-linked porous protein crystals
Appl Catal B, 237, 2018
2IY6
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BU of 2iy6 by Molmil
1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS WITH BOUND CITRATE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S.
Deposit date:2006-07-13
Release date:2006-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006
5YHI
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BU of 5yhi by Molmil
Crystal structure of YiiM from Escherichia coli
Descriptor: PHOSPHATE ION, Protein YiiM
Authors:Namgung, B, Kim, J.H, Song, W.S, Yoon, S.I.
Deposit date:2017-09-28
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the hydroxylaminopurine resistance protein, YiiM, and its putative molybdenum cofactor-binding catalytic site.
Sci Rep, 8, 2018
7WDG
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BU of 7wdg by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
4LY4
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BU of 4ly4 by Molmil
Crystal structure of peptidoglycan deacetylase (HP0310) with Zinc from Helicobacter pylori
Descriptor: ZINC ION, peptidoglycan deacetylase
Authors:Shaik, M.M, Zanotti, G.
Deposit date:2013-07-30
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Characterization of the divalent metal binding site of bacterial polysaccharide deacetylase using crystallography and quantum chemical calculations.
Proteins, 82, 2014
7WDD
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BU of 7wdd by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
2J7C
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BU of 2j7c by Molmil
Beta-glucosidase from Thermotoga maritima in complex with phenylaminomethyl-derived glucoimidazole
Descriptor: (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-06
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
6HX2
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BU of 6hx2 by Molmil
The structure of Dps from Listeria innocua soaked with Cobalt
Descriptor: COBALT (II) ION, DNA protection during starvation protein
Authors:Zeth, K, Okuda, M.
Deposit date:2018-10-15
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Metal Positions and Translocation Pathways of the Dodecameric Ferritin-like Protein Dps.
Inorg.Chem., 58, 2019
5YJ7
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BU of 5yj7 by Molmil
Structural insight into the beta-GH1 glucosidase BGLN1 from oleaginous microalgae Nannochloropsis
Descriptor: CALCIUM ION, GLYCEROL, Glycoside hydrolase
Authors:Dong, S, Liu, Y.J, Zhou, H.X, Xiao, Y, Xu, J, Cui, Q, Wang, X.Q, Feng, Y.G.
Deposit date:2017-10-09
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insight into a GH1 beta-glucosidase from the oleaginous microalga, Nannochloropsis oceanica.
Int.J.Biol.Macromol., 170, 2021
5YNE
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BU of 5yne by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 10 mM alpha-cyclodextrin
Descriptor: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ...
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 (2.199 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
4PAH
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BU of 4pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND NOR-ADRENALINE INHIBITOR
Descriptor: FE (III) ION, L-NOREPINEPHRINE, PHENYLALANINE HYDROXYLASE
Authors:Erlandsen, H, Flatmark, T, Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
3F97
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BU of 3f97 by Molmil
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by soman
Descriptor: (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, ACETATE ION, Platelet-activating factor acetylhydrolase, ...
Authors:Samanta, U, Bahnson, B.J.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3K6J
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BU of 3k6j by Molmil
Crystal structure of the dehydrogenase part of multifuctional enzyme 1 from C.elegans
Descriptor: PHOSPHATE ION, Protein F01G10.3, confirmed by transcript evidence, ...
Authors:Ouyang, Z, Zhang, K, Zhai, Y, Lu, J, Sun, F.
Deposit date:2009-10-09
Release date:2010-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the dehydrogenase part of multifuctional enzyme 1 from C.elegans
To be Published
7WG0
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BU of 7wg0 by Molmil
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine
Descriptor: (2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX
Authors:Keita, O, Osami, S, Yuichiro, A, Hiroshi, S.
Deposit date:2021-12-27
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine
To Be Published
7QTA
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BU of 7qta by Molmil
S1 nuclease from Aspergillus oryzae in complex with uridine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J.
Deposit date:2022-01-14
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022
7WDN
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BU of 7wdn by Molmil
Crystal structures of MeBglD2 in complex with various saccharides
Descriptor: alpha-D-glucopyranose, beta-glucosidase
Authors:Watanabe, M, Matsuzawa, T, Nakamichi, Y, Akita, H, Yaoi, K.
Deposit date:2021-12-22
Release date:2023-01-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of metagenomic beta-glycosidase MeBglD2 in complex with various saccharides.
Appl.Microbiol.Biotechnol., 106, 2022
3K7F
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BU of 3k7f by Molmil
Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase'
Descriptor: 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ...
Authors:Mileni, M, Stevens, R.C, Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
4PBE
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BU of 4pbe by Molmil
Phosphotriesterase Variant Rev6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-04-12
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016

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