7DYT
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![BU of 7dyt by Molmil](/molmil-images/mine/7dyt) | Human JMJD5 in complex with MN and 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid. | Descriptor: | 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2021-01-23 | Release date: | 2022-02-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5. J.Med.Chem., 66, 2023
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7DYX
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![BU of 7dyx by Molmil](/molmil-images/mine/7dyx) | Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid. | Descriptor: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2021-01-23 | Release date: | 2022-02-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5. J.Med.Chem., 66, 2023
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7DYU
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![BU of 7dyu by Molmil](/molmil-images/mine/7dyu) | Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2021-01-23 | Release date: | 2022-02-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5. J.Med.Chem., 66, 2023
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7XVJ
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![BU of 7xvj by Molmil](/molmil-images/mine/7xvj) | 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
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7Y3V
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![BU of 7y3v by Molmil](/molmil-images/mine/7y3v) | 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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7W6F
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![BU of 7w6f by Molmil](/molmil-images/mine/7w6f) | 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
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7W6E
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7W6G
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![BU of 7w6g by Molmil](/molmil-images/mine/7w6g) | 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
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7W6D
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3VOV
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![BU of 3vov by Molmil](/molmil-images/mine/3vov) | Crystal Structure of ROK Hexokinase from Thermus thermophilus | Descriptor: | GLYCEROL, Glucokinase, ZINC ION | Authors: | Nakamura, T, Kashima, Y, Mine, S, Oku, T, Uegaki, K. | Deposit date: | 2012-02-21 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Characterization and crystal structure of the thermophilic ROK hexokinase from Thermus thermophilus J.Biosci.Bioeng., 2012
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8ZFW
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7Q5X
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![BU of 7q5x by Molmil](/molmil-images/mine/7q5x) | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2. Proteins, 91, 2023
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7Q5V
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![BU of 7q5v by Molmil](/molmil-images/mine/7q5v) | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2. Proteins, 91, 2023
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6ZBO
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![BU of 6zbo by Molmil](/molmil-images/mine/6zbo) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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6ZBN
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![BU of 6zbn by Molmil](/molmil-images/mine/6zbn) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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1V29
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![BU of 1v29 by Molmil](/molmil-images/mine/1v29) | Crystal structure of Nitrile hydratase from a thermophile Bacillus smithii | Descriptor: | COBALT (II) ION, nitrile hydratase a chain, nitrile hydratase b chain | Authors: | Hourai, S, Miki, M, Takashima, Y, Mitsuda, S, Yanagi, K. | Deposit date: | 2003-10-09 | Release date: | 2004-10-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of nitrile hydratase from a thermophilic Bacillus smithii Biochem.Biophys.Res.Commun., 312, 2003
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5YK9
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7FFG
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![BU of 7ffg by Molmil](/molmil-images/mine/7ffg) | Diarylpentanoid-producing polyketide synthase (N199F mutant) | Descriptor: | Type III polyketide synthase | Authors: | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | Deposit date: | 2021-07-23 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
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7FFA
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![BU of 7ffa by Molmil](/molmil-images/mine/7ffa) | Diarylpentanoid-producing polyketide synthase from Aquilaria sinensis | Descriptor: | Type III polyketide synthase | Authors: | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | Deposit date: | 2021-07-23 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
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7FFI
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![BU of 7ffi by Molmil](/molmil-images/mine/7ffi) | Diarylpentanoid-producing polyketide synthase (F340W mutant) | Descriptor: | Type III polyketide synthase | Authors: | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | Deposit date: | 2021-07-23 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
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7FFC
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![BU of 7ffc by Molmil](/molmil-images/mine/7ffc) | Diarylpentanoid-producing polyketide synthase (A210E mutant) | Descriptor: | GLYCEROL, Type III polyketide synthase | Authors: | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | Deposit date: | 2021-07-23 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
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7FFH
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![BU of 7ffh by Molmil](/molmil-images/mine/7ffh) | Diarylpentanoid-producing polyketide synthase (N199L mutant) | Descriptor: | Type III polyketide synthase | Authors: | Morita, H, Wong, C.P, Liu, Q, Takeshi, K, Lee, Y, Nakashima, Y. | Deposit date: | 2021-07-23 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
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8XE4
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![BU of 8xe4 by Molmil](/molmil-images/mine/8xe4) | norbelladine 4'-O-methyltransferase complexed with Mg, SAH, and norbelladine | Descriptor: | GLYCEROL, MAGNESIUM ION, Norbelladine, ... | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | Deposit date: | 2023-12-11 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis, 2024
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8Z8O
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8XDT
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![BU of 8xdt by Molmil](/molmil-images/mine/8xdt) | |