7X91
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7X8Z
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7X8W
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7X8Y
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7X90
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7X92
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7WZU
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![BU of 7wzu by Molmil](/molmil-images/mine/7wzu) | Crystal structure of metallo-beta-lactamase IMP-6. | Descriptor: | Beta-lactamase, ZINC ION | Authors: | Yamaguchi, Y, Kurosaki, H. | Deposit date: | 2022-02-19 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution. Acs Infect Dis., 9, 2023
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7DTM
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7DTN
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7EM6
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![BU of 7em6 by Molmil](/molmil-images/mine/7em6) | Crystal structure of the PI5P4Kbeta N203D-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM7
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![BU of 7em7 by Molmil](/molmil-images/mine/7em7) | Crystal structure of the PI5P4Kbeta N203D-XTP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM5
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![BU of 7em5 by Molmil](/molmil-images/mine/7em5) | Crystal structure of the PI5P4Kbeta F205L-XTP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM1
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![BU of 7em1 by Molmil](/molmil-images/mine/7em1) | Crystal structure of the PI5P4Kbeta-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM3
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![BU of 7em3 by Molmil](/molmil-images/mine/7em3) | Crystal structure of the PI5P4Kbeta-2a-ATP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM4
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![BU of 7em4 by Molmil](/molmil-images/mine/7em4) | Crystal structure of the PI5P4Kbeta F205L-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM8
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![BU of 7em8 by Molmil](/molmil-images/mine/7em8) | Crystal structure of the PI5P4Kbeta T201M-2a-ATP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7EM2
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![BU of 7em2 by Molmil](/molmil-images/mine/7em2) | Crystal structure of the PI5P4Kbeta-XTP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7F9F
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![BU of 7f9f by Molmil](/molmil-images/mine/7f9f) | Thrombocorticin | Descriptor: | MAGNESIUM ION, Thrombocorticin | Authors: | Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y, Freymann, D.M. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation. Nat Commun, 13, 2022
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7F9G
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![BU of 7f9g by Molmil](/molmil-images/mine/7f9g) | Thrombocorticin in complex with Ca2+ and fucose | Descriptor: | CALCIUM ION, Thrombocorticin, alpha-L-fucopyranose | Authors: | Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.331 Å) | Cite: | A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation. Nat Commun, 13, 2022
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7F9J
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![BU of 7f9j by Molmil](/molmil-images/mine/7f9j) | Thrombocorticin Q25K in complex with Ca2+ | Descriptor: | CALCIUM ION, Thrombocorticin Q25K mutant | Authors: | Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation. Nat Commun, 13, 2022
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7F91
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7FBL
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![BU of 7fbl by Molmil](/molmil-images/mine/7fbl) | Thrombocorticin in complex with Ca2+ and mannose | Descriptor: | CALCIUM ION, Thrombocorticin, alpha-D-mannopyranose | Authors: | Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation. Nat Commun, 13, 2022
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7CE4
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![BU of 7ce4 by Molmil](/molmil-images/mine/7ce4) | Tankyrase2 catalytic domain in complex with K-476 | Descriptor: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | Authors: | Takahashi, Y, Suzuki, M, Saito, J. | Deposit date: | 2020-06-22 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors. Am J Cancer Res, 11, 2021
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8R79
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![BU of 8r79 by Molmil](/molmil-images/mine/8r79) | The D2 domain of human DTX3L | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | Deposit date: | 2023-11-24 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor. Biorxiv, 2023
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8TV7
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![BU of 8tv7 by Molmil](/molmil-images/mine/8tv7) | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | Descriptor: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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