3PUQ
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![BU of 3puq by Molmil](/molmil-images/mine/3puq) | CEKDM7A from C.Elegans, complex with alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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8HBT
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![BU of 8hbt by Molmil](/molmil-images/mine/8hbt) | AmAT7-3 mutant A310G | Descriptor: | AmAT7-3-A310G, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-31 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8H8I
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![BU of 8h8i by Molmil](/molmil-images/mine/8h8i) | Triterpenoid saponin acetyltransferase, AmAT7-3 | Descriptor: | AmAT7-3, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-22 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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3PUR
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![BU of 3pur by Molmil](/molmil-images/mine/3pur) | CEKDM7A from C.Elegans, complex with D-2-HG | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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3W95
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![BU of 3w95 by Molmil](/molmil-images/mine/3w95) | |
5CEO
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![BU of 5ceo by Molmil](/molmil-images/mine/5ceo) | DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile | Descriptor: | 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12 | Authors: | HARRIS, S.F, YIN, J. | Deposit date: | 2015-07-07 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015
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7LUB
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![BU of 7lub by Molmil](/molmil-images/mine/7lub) | |
5CEN
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![BU of 5cen by Molmil](/molmil-images/mine/5cen) | Crystal structure of DLK (kinase domain) | Descriptor: | Mitogen-activated protein kinase kinase kinase 12 | Authors: | HARRIS, S.F, YIN, J. | Deposit date: | 2015-07-07 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015
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5CEQ
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![BU of 5ceq by Molmil](/molmil-images/mine/5ceq) | |
6KJ7
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![BU of 6kj7 by Molmil](/molmil-images/mine/6kj7) | E. coli ATCase catalytic subunit mutant - G166P | Descriptor: | Aspartate carbamoyltransferase catalytic subunit | Authors: | Lei, Z, Zheng, J, Jia, Z. | Deposit date: | 2019-07-21 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.839 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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6KJ9
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![BU of 6kj9 by Molmil](/molmil-images/mine/6kj9) | E. coli ATCase catalytic subunit mutant - G128/130A | Descriptor: | Aspartate carbamoyltransferase catalytic subunit | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | Deposit date: | 2019-07-22 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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6KJ8
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![BU of 6kj8 by Molmil](/molmil-images/mine/6kj8) | E. coli ATCase holoenzyme mutant - G166P (catalytic chain) | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | Deposit date: | 2019-07-22 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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6KJA
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![BU of 6kja by Molmil](/molmil-images/mine/6kja) | E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain) | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | Deposit date: | 2019-07-22 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.064 Å) | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development. Febs J., 287, 2020
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7MBH
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![BU of 7mbh by Molmil](/molmil-images/mine/7mbh) | Structure of Human Enolase 2 in complex with phosphoserine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | Authors: | Leonard, P.G, Hicks, K.G, Rutter, J. | Deposit date: | 2021-03-31 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase. Science, 379, 2023
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8FDM
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![BU of 8fdm by Molmil](/molmil-images/mine/8fdm) | Human Hemoglobin in Complex with Nitrosomethane | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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8FDL
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![BU of 8fdl by Molmil](/molmil-images/mine/8fdl) | Human Hemoglobin with Nitrosochloramphenicol | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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8FDN
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![BU of 8fdn by Molmil](/molmil-images/mine/8fdn) | Human Hemoglobin with N-tertbutylhydroxylamine | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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5CEP
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![BU of 5cep by Molmil](/molmil-images/mine/5cep) | |
7BEM
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![BU of 7bem by Molmil](/molmil-images/mine/7bem) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-269 Vh domain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEH
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![BU of 7beh by Molmil](/molmil-images/mine/7beh) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-316 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEN
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![BU of 7ben by Molmil](/molmil-images/mine/7ben) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEK
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![BU of 7bek by Molmil](/molmil-images/mine/7bek) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEO
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![BU of 7beo by Molmil](/molmil-images/mine/7beo) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEP
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![BU of 7bep by Molmil](/molmil-images/mine/7bep) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | Descriptor: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEI
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![BU of 7bei by Molmil](/molmil-images/mine/7bei) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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