7CT4
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![BU of 7ct4 by Molmil](/molmil-images/mine/7ct4) | Crystal structure of D-amino acid oxidase from Rasamsonia emersonii strain YA | Descriptor: | D-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Shimekake, Y, Hirato, Y, Okazaki, S, Funabashi, R, Goto, M, Furuichi, T, Suzuki, H, Takahashi, S. | Deposit date: | 2020-08-18 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure analysis of a unique D-amino-acid oxidase from the thermophilic fungus Rasamsonia emersonii strain YA. Acta Crystallogr.,Sect.F, 76, 2020
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7BY9
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![BU of 7by9 by Molmil](/molmil-images/mine/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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7BY8
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7BYA
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![BU of 7bya by Molmil](/molmil-images/mine/7bya) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Malate dehydrogenase, 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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7BMI
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![BU of 7bmi by Molmil](/molmil-images/mine/7bmi) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | Descriptor: | 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2021-01-20 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases J Fluor Chem, 247, 2021
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6LAH
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![BU of 6lah by Molmil](/molmil-images/mine/6lah) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2019-11-12 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
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6LAM
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![BU of 6lam by Molmil](/molmil-images/mine/6lam) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylethanolamine | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2019-11-12 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
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8II0
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![BU of 8ii0 by Molmil](/molmil-images/mine/8ii0) | 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
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8IHZ
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![BU of 8ihz by Molmil](/molmil-images/mine/8ihz) | 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
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8ITH
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![BU of 8ith by Molmil](/molmil-images/mine/8ith) | 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
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8ITG
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8K71
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![BU of 8k71 by Molmil](/molmil-images/mine/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
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![BU of 8k72 by Molmil](/molmil-images/mine/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
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![BU of 8k73 by Molmil](/molmil-images/mine/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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6LT6
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![BU of 6lt6 by Molmil](/molmil-images/mine/6lt6) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2020-01-21 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
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7BMJ
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![BU of 7bmj by Molmil](/molmil-images/mine/7bmj) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | Descriptor: | 5-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2021-01-20 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases J Fluor Chem, 247, 2021
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5ZM3
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![BU of 5zm3 by Molmil](/molmil-images/mine/5zm3) | 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
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1BKU
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![BU of 1bku by Molmil](/molmil-images/mine/1bku) | EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF EEL CALCITONIN, NMR, 10 STRUCTURES | Descriptor: | CALCITONIN | Authors: | Hashimoto, Y, Nishikido, J, Toma, K, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K, Opella, S.J. | Deposit date: | 1998-07-13 | Release date: | 1999-01-13 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy. Biochemistry, 38, 1999
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3D79
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![BU of 3d79 by Molmil](/molmil-images/mine/3d79) | Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3 | Descriptor: | Putative uncharacterized protein PH0734 | Authors: | Nishimura, Y, Miyazono, K, Sawano, Y, Makino, T, Nagata, K, Tanokura, M. | Deposit date: | 2008-05-20 | Release date: | 2008-12-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3. Proteins, 73, 2008
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1BYV
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![BU of 1byv by Molmil](/molmil-images/mine/1byv) | GLYCOSYLATED EEL CALCITONIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CALCITONIN) | Authors: | Hashimoto, Y, Toma, K, Nishikido, J, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K.G, Opella, S.J. | Deposit date: | 1998-10-16 | Release date: | 1998-10-28 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy. Biochemistry, 38, 1999
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1BZB
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![BU of 1bzb by Molmil](/molmil-images/mine/1bzb) | GLYCOSYLATED EEL CALCITONIN | Descriptor: | PROTEIN (CALCITONIN), alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Hashimoto, Y, Toma, K, Nishikido, J, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K, Opella, S.J. | Deposit date: | 1998-10-27 | Release date: | 1998-11-11 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy. Biochemistry, 38, 1999
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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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7F8D
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![BU of 7f8d by Molmil](/molmil-images/mine/7f8d) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) G218Y mutant | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Shimozawa, Y, Himiyama, T, Nakamura, T, Nishiya, Y. | Deposit date: | 2021-07-02 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Increasing loop flexibility affords low-temperature adaptation of a moderate thermophilic malate dehydrogenase from Geobacillus stearothermophilus. Protein Eng.Des.Sel., 34, 2021
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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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