6YYW
 
 | | 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
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6YYY
 | | 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
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6Z6Q
 | | 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
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6YYV
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6Z6R
 | | 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
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6YYU
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6YYX
 | | 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
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8K71
 | | 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
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8K72
 | | 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
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8K73
 | | 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
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5ZM4
 | | 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
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5ZM2
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7BT2
 | | Crystal structure of the SERCA2a in the E2.ATP state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kabashima, Y, Ogawa, H, Nakajima, R, Toyoshima, C. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.00002861 Å) | | Cite: | What ATP binding does to the Ca2+pump and how nonproductive phosphoryl transfer is prevented in the absence of Ca2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5YBN
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5YBP
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7A1O
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-ethyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER) | | Descriptor: | 4-ethyl-2-oxoglutarate, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1Q
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER) | | Descriptor: | 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1P
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-propyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER) | | Descriptor: | (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1M
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-propyl-2-oxoglutarate | | Descriptor: | 3-propyl-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1J
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-(3-phenylpropyl)-2-oxoglutarate | | Descriptor: | 3-(3-phenylpropyl)-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1K
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate | | Descriptor: | 3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1N
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER) | | Descriptor: | (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1L
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-methyl-2-oxoglutarate | | Descriptor: | (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7A1S
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | | Descriptor: | (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
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7BY9
 | | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Nicotinamide Adenine Dinucleotide (NAD) | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXALOACETATE ION | | Authors: | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | | Deposit date: | 2020-04-22 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
J.Biochem., 170, 2021
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