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PDB: 95 results

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
8ITH
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BU of 8ith by Molmil
Crystal structure of lasso peptide epimerase MslH H295N
Descriptor: CALCIUM ION, GLYCEROL, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein)
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8ITG
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BU of 8itg by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide variant MslAW21G
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
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
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
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
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
8GQ9
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BU of 8gq9 by Molmil
Crystal structure of lasso peptide epimerase MslH
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-08-29
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQB
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BU of 8gqb by Molmil
Crystal structure of lasso peptide epimerase MslH D11A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-08-29
Release date:2023-06-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQA
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BU of 8gqa by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide analog MslAdeltaW21
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-08-29
Release date:2023-06-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
5ZM3
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BU of 5zm3 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B
Descriptor: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
5ZM4
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BU of 5zm4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C
Descriptor: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
Descriptor: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-05-24
Release date:2023-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
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
5ZM2
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BU of 5zm2 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA
Descriptor: Dioxygenase andA
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018

 

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