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5YBN
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BU of 5ybn by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA in complex with (alpha)ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YBP
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BU of 5ybp by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A1
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
7YBC
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BU of 7ybc by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YB8
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BU of 7yb8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2R)-2-hydroxypentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBA
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BU of 7yba by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
To Be Published
7YB9
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BU of 7yb9 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBB
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BU of 7ybb by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
8II0
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BU of 8ii0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
8IHZ
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BU of 8ihz by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
6RUJ
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BU of 6ruj by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Nakashima, Y, McDonough, M.A, Schofield, C.J.
Deposit date:2019-05-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
8K71
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BU of 8k71 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6Q
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BU of 6z6q by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYV
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BU of 6yyv by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-2-oxoglutarate
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6R
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BU of 6z6r by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYU
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BU of 6yyu by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYX
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BU of 6yyx by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021
7W6F
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BU of 7w6f by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid
Descriptor: 2-nonyl-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, Olivetolic acid cyclase
Authors:Nakashima, Y, Lee, Y.E, Morita, H.
Deposit date:2021-12-01
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6G
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BU of 7w6g by Molmil
TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA
Descriptor: 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Nakashima, Y, Lee, Y.E, Morita, H.
Deposit date:2021-12-01
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6E
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BU of 7w6e by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-heptylresorcylic acid
Descriptor: 2-heptyl-4,6-bis(oxidanyl)benzoic acid, Olivetolic acid cyclase
Authors:Nakashima, Y, Lee, Y.E, Morita, H.
Deposit date:2021-12-01
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6D
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BU of 7w6d by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with olivetolic acid
Descriptor: 2,4-bis(oxidanyl)-6-pentyl-benzoic acid, Olivetolic acid cyclase
Authors:Nakashima, Y, Lee, Y.E, Morita, H.
Deposit date:2021-12-01
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
Descriptor: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-06-13
Release date:2023-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022

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