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4AA8
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BU of 4aa8 by Molmil
Bovine chymosin at 1.8A resolution
Descriptor: CHLORIDE ION, CHYMOSIN
Authors:Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S.
Deposit date:2011-11-30
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties.
Acta Crystallogr.,Sect.D, 69, 2013
3Q9T
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BU of 3q9t by Molmil
Crystal structure analysis of formate oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Doubayashi, D, Ootake, T, Maeda, Y, Oki, M, Tokunaga, Y, Sakurai, A, Nagaosa, Y, Mikami, B, Uchida, H.
Deposit date:2011-01-09
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Formate oxidase, an enzyme of the glucose-methanol-choline oxidoreductase family, has a His-Arg pair and 8-formyl-FAD at the catalytic site.
Biosci.Biotechnol.Biochem., 75, 2011
4M4N
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BU of 4m4n by Molmil
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
4M4U
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BU of 4m4u by Molmil
Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: CHLORIDE ION, Extracellular sialidase/neuraminidase, putative, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
4M4V
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BU of 4m4v by Molmil
Structural evaluation R171L mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Extracellular sialidase/neuraminidase, putative, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
5UVC
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BU of 5uvc by Molmil
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2017-02-20
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
6OXJ
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BU of 6oxj by Molmil
X-ray crystal structure of Y140F FtmOx1 bound to Fe(II)
Descriptor: FE (II) ION, Verruculogen synthase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1).
J.Am.Chem.Soc., 141, 2019
4LCL
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BU of 4lcl by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
Descriptor: ISOPROPYL ALCOHOL, Transesterase
Authors:Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4N9S
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BU of 4n9s by Molmil
High resolution X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-HYDROXYXANTHINE
Descriptor: 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Oksanen, E, Blakeley, M.P, Budayova-Spano, M.
Deposit date:2013-10-21
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
4OYL
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BU of 4oyl by Molmil
Humicola insolens cutinase in complex with mono-ethylphosphate
Descriptor: Cutinase
Authors:Dauter, Z.D, Brzozowski, A.M, Turkenburg, J.P, Wilson, K.S.
Deposit date:2014-02-12
Release date:2014-06-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thermodynamic and structural investigation of the specific SDS binding of Humicola insolens cutinase.
Protein Sci., 23, 2014
4OYY
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BU of 4oyy by Molmil
Humicola insolens cutinase
Descriptor: Cutinase
Authors:Dauter, Z.D, Brzozowski, A.M, Turkenburg, J.P, Wilson, K.S.
Deposit date:2014-02-13
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase.
Protein Sci., 23, 2014
5OAW
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BU of 5oaw by Molmil
Crystal structure of Aspergillus fumigatus N-acetylphosphoglucosamine mutase in complex with GlcNAc-6P and magnesium
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Raimi, O.G, Hurtado-Guerrero, R.
Deposit date:2017-06-24
Release date:2018-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Evidence for substrate-assisted catalysis inN-acetylphosphoglucosamine mutase.
Biochem. J., 475, 2018
5O9X
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BU of 5o9x by Molmil
Crystal structure of Aspergillus fumigatus N-acetylphosphoglucosamine mutate S69A in complex with glucose1,6bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Raimi, O.G, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evidence for substrate-assisted catalysis inN-acetylphosphoglucosamine mutase.
Biochem. J., 475, 2018
3RI9
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BU of 3ri9 by Molmil
Xylanase C from Aspergillus kawachii F131W mutant
Descriptor: Endo-1,4-beta-xylanase 3
Authors:Fushinobu, S, Uno, T, Kitaoka, M, Hayashi, K, Matsuzawa, H, Wakagi, T.
Deposit date:2011-04-13
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational analysis of fungal family 11 xylanases on pH optimum determination
J.APPL.GLYOSCI., 58, 2011
5OJL
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BU of 5ojl by Molmil
Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 5-methyl-7~{H}-benzo[d][2]benzazepine, Imine reductase
Authors:Sharma, M, Grogan, G.
Deposit date:2017-07-21
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.
Angew. Chem. Int. Ed. Engl., 56, 2017
3RI8
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BU of 3ri8 by Molmil
Xylanase C from Aspergillus kawachii D37N mutant
Descriptor: Endo-1,4-beta-xylanase 3
Authors:Fushinobu, S, Uno, T, Kitaoka, M, Hayashi, K, Matsuzawa, H, Wakagi, T.
Deposit date:2011-04-13
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational analysis of fungal family 11 xylanases on pH optimum determination
J.APPL.GLYOSCI., 58, 2011
5RNT
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BU of 5rnt by Molmil
X-RAY ANALYSIS OF CUBIC CRYSTALS OF THE COMPLEX FORMED BETWEEN RIBONUCLEASE T1 AND GUANOSINE-3',5'-BISPHOSPHATE
Descriptor: GUANOSINE-3',5'-DIPHOSPHATE, RIBONUCLEASE T1
Authors:Saenger, W, Heinemann, U, Lenz, A.
Deposit date:1991-03-28
Release date:1993-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray analysis of cubic crystals of the complex formed between ribonuclease T1 and guanosine-3',5'-bisphosphate.
Acta Crystallogr.,Sect.B, 47, 1991
7ENB
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BU of 7enb by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI with different conformation
Descriptor: FE (III) ION, N-OXALYLGLYCINE, NvfI, ...
Authors:Mori, T, Abe, I.
Deposit date:2021-04-16
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
7EMZ
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BU of 7emz by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI W199F variant
Descriptor: FE (III) ION, N-OXALYLGLYCINE, NvfI W199F, ...
Authors:Mori, T, Abe, I.
Deposit date:2021-04-15
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
3SZ7
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BU of 3sz7 by Molmil
Crystal structure of the Sgt2 TPR domain from Aspergillus fumigatus
Descriptor: Hsc70 cochaperone (SGT)
Authors:Chartron, J.W, Gonzalez, G.M, Clemons Jr, W.M.
Deposit date:2011-07-18
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A structural model of the Sgt2 protein and its interactions with chaperones and the Get4/Get5 complex.
J.Biol.Chem., 286, 2011
7F0Y
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BU of 7f0y by Molmil
Crystal structure of isomerase NsrQ F58A in complex with substrate analogue
Descriptor: NsrQ, methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
Authors:Yang, J, Mori, T, Abe, I.
Deposit date:2021-06-07
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7F0Z
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BU of 7f0z by Molmil
Crystal structure of NsrQ W31A
Descriptor: NsrQ
Authors:Yang, J, Mori, T, Abe, I.
Deposit date:2021-06-07
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7F11
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BU of 7f11 by Molmil
Crystal structure of NsrQ M128I in complex with substrate analogue 7
Descriptor: NsrQ, methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
Authors:Yang, J, Mori, T, Abe, I.
Deposit date:2021-06-07
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7F0O
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BU of 7f0o by Molmil
Crystal structure of selenomethionine-labeled isomerase NsrQ
Descriptor: NsrQ
Authors:Yang, J, Mori, T, Abe, I.
Deposit date:2021-06-06
Release date:2022-04-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7F10
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BU of 7f10 by Molmil
Crystal structure of NsrQ M128I in complex with substrate analogue 3
Descriptor: NsrQ, methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
Authors:Yang, J, Mori, T, Abe, I.
Deposit date:2021-06-07
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Angew.Chem.Int.Ed.Engl., 60, 2021

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数据于2024-07-17公开中

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