7CBQ
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![BU of 7cbq by Molmil](/molmil-images/mine/7cbq) | Crystal structure of PDE4D catalytic domain in complex with Apremilast | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-13 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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7CBJ
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![BU of 7cbj by Molmil](/molmil-images/mine/7cbj) | Crystal structure of PDE4D catalytic domain in complex with compound 36 | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-12 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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7ELL
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![BU of 7ell by Molmil](/molmil-images/mine/7ell) | |
7ELH
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![BU of 7elh by Molmil](/molmil-images/mine/7elh) | |
7E4A
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![BU of 7e4a by Molmil](/molmil-images/mine/7e4a) | Crystal structure of MIF bound to compound 13 | Descriptor: | CHLORIDE ION, Flavoxate, Macrophage migration inhibitory factor, ... | Authors: | Fa, C.P, Guo, D.Y, Yang, L. | Deposit date: | 2021-02-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.475 Å) | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors. J.Agric.Food Chem., 69, 2021
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7FAT
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![BU of 7fat by Molmil](/molmil-images/mine/7fat) | Structure Determination of the RBD-NB1A7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nb_1A7 | Authors: | Geng, Y, Shi, Z.Z, Li, X.Y, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of nanobodies neutralizing SARS-CoV-2 variants Structure, 30, 2022
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7FAU
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![BU of 7fau by Molmil](/molmil-images/mine/7fau) | Structure Determination of the NB1B11-RBD Complex | Descriptor: | NB_1B11, Spike protein S1, ZINC ION | Authors: | Shi, Z.Z, Li, X.X, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C, Cui, Q.Q, Qiao, H.R, Lan, Z.Y, Zhang, X. | Deposit date: | 2021-07-07 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis of nanobodies neutralizing SARS-CoV-2 variants. Structure, 30, 2022
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7FCZ
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![BU of 7fcz by Molmil](/molmil-images/mine/7fcz) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
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![BU of 7fd0 by Molmil](/molmil-images/mine/7fd0) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7VFB
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![BU of 7vfb by Molmil](/molmil-images/mine/7vfb) | the complex of SARS-CoV2 3cl and NB2B4 | Descriptor: | 3C-like proteinase, nb2b4 | Authors: | Geng, Y, Sun, Z.C, Wang, L. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VFA
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![BU of 7vfa by Molmil](/molmil-images/mine/7vfa) | the complex of SARS-CoV2 3CL and NB1A2 | Descriptor: | 3C-like proteinase, NB1A2, SULFATE ION | Authors: | Sun, Z.C, Wang, L, Geng, Y. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MCE
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![BU of 7mce by Molmil](/molmil-images/mine/7mce) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | Descriptor: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-02 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg.Med.Chem.Lett., 51, 2021
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7MCF
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![BU of 7mcf by Molmil](/molmil-images/mine/7mcf) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-02 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
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6R5M
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![BU of 6r5m by Molmil](/molmil-images/mine/6r5m) | Crystal structure of toxin MT9 from mamba venom | Descriptor: | ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ... | Authors: | Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L. | Deposit date: | 2019-03-25 | Release date: | 2020-02-12 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries Biomed Pharmacother, 150, 2022
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8WZB
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![BU of 8wzb by Molmil](/molmil-images/mine/8wzb) | RS head-neck monomer | Descriptor: | DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ... | Authors: | Meng, X, Cong, Y. | Deposit date: | 2023-11-01 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia. Nat Commun, 15, 2024
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8X2U
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![BU of 8x2u by Molmil](/molmil-images/mine/8x2u) | Radial spoke head-neck dimer | Descriptor: | DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ... | Authors: | Meng, X, Cong, Y. | Deposit date: | 2023-11-10 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia. Nat Commun, 15, 2024
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5I95
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![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5I96
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![BU of 5i96 by Molmil](/molmil-images/mine/5i96) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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4XVQ
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![BU of 4xvq by Molmil](/molmil-images/mine/4xvq) | H-Ras Y137E | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2015-01-27 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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4XVR
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![BU of 4xvr by Molmil](/molmil-images/mine/4xvr) | H-Ras Y137F | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2015-01-27 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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2MTG
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![BU of 2mtg by Molmil](/molmil-images/mine/2mtg) | Solution structure of the RRM1 of human LARP6 | Descriptor: | La-related protein 6 | Authors: | Martino, L, Atkinson, A.R, Kelly, G, Conte, M.R. | Deposit date: | 2014-08-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Synergic interplay of the La motif, RRM1 and the interdomain linker of LARP6 in the recognition of collagen mRNA expands the RNA binding repertoire of the La module. Nucleic Acids Res., 43, 2015
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2MTF
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![BU of 2mtf by Molmil](/molmil-images/mine/2mtf) | Solution structure of the La motif of human LARP6 | Descriptor: | La-related protein 6 | Authors: | Martino, L, Salisbury, N.JH, Atkinson, A.R, Kelly, G, Conte, M.R. | Deposit date: | 2014-08-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Synergic interplay of the La motif, RRM1 and the interdomain linker of LARP6 in the recognition of collagen mRNA expands the RNA binding repertoire of the La module. Nucleic Acids Res., 43, 2015
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7XZO
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![BU of 7xzo by Molmil](/molmil-images/mine/7xzo) | Formate-tetrahydrofolate ligase in complex with ATP | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Fang, C.L, Zhang, Y. | Deposit date: | 2022-06-03 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Identification of FtfL as a novel target of berberine in intestinal bacteria. Bmc Biol., 21, 2023
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7XZN
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![BU of 7xzn by Molmil](/molmil-images/mine/7xzn) | |
7XZP
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![BU of 7xzp by Molmil](/molmil-images/mine/7xzp) | |