7BK2
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![BU of 7bk2 by Molmil](/molmil-images/mine/7bk2) | Crystal structure of CHK1-10pt-mutant complex with compound 44 | Descriptor: | 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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6M8Q
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![BU of 6m8q by Molmil](/molmil-images/mine/6m8q) | Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531 | Descriptor: | Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ... | Authors: | Weihofen, W.A, Salcius, M, Michaud, G. | Deposit date: | 2018-08-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma. Nat.Chem.Biol., 16, 2020
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7BYM
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![BU of 7bym by Molmil](/molmil-images/mine/7bym) | Cryo-EM structure of human KCNQ4 with retigabine | Descriptor: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | Authors: | Shen, H, Li, T, Yue, Z. | Deposit date: | 2020-04-23 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs. Mol.Cell, 81, 2021
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6LQE
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6LQF
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6M1K
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![BU of 6m1k by Molmil](/molmil-images/mine/6m1k) | USP7 in complex with a novel inhibitor | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate | Authors: | Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A. | Deposit date: | 2020-02-26 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies. Eur.J.Med.Chem., 199, 2020
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6KAG
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![BU of 6kag by Molmil](/molmil-images/mine/6kag) | Crystal structure of the SMARCB1/SMARCC2 subcomplex | Descriptor: | SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | Authors: | Chen, G, Zhou, H, Giancotti, F.G, Long, J. | Deposit date: | 2019-06-22 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | A heterotrimeric SMARCB1-SMARCC2 subcomplex is required for the assembly and tumor suppression function of the BAF chromatin-remodeling complex. Cell Discov, 6, 2020
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7WDM
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![BU of 7wdm by Molmil](/molmil-images/mine/7wdm) | Fungal immunomodulatory protein FIP-gmi | Descriptor: | Immunomodulatory protein | Authors: | Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z. | Deposit date: | 2021-12-22 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.123 Å) | Cite: | Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties To Be Published
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8JIO
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7X32
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![BU of 7x32 by Molmil](/molmil-images/mine/7x32) | Crystal structure of E. coli NfsB in complex with berberine | Descriptor: | BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ... | Authors: | Zhang, H, Wen, H.Y. | Deposit date: | 2022-02-27 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.829 Å) | Cite: | Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase. Acta Crystallogr D Struct Biol, 78, 2022
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7X76
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7X74
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7X75
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7X4L
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![BU of 7x4l by Molmil](/molmil-images/mine/7x4l) | Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase mutant Y303F-PLP complex | Descriptor: | Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Liu, S, Guoming, D, Yulu, W, Boting, W, Xin, F. | Deposit date: | 2022-03-02 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH. Food Chem, 403, 2023
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7YL7
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![BU of 7yl7 by Molmil](/molmil-images/mine/7yl7) | Structure of hIAPP-TF-type3 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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7VPD
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7VO0
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7VO9
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7VPZ
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7YSU
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![BU of 7ysu by Molmil](/molmil-images/mine/7ysu) | Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ... | Authors: | Mohammadi, M, Chen, L. | Deposit date: | 2022-08-13 | Release date: | 2023-04-19 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for FGF hormone signalling. Nature, 618, 2023
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7YSH
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![BU of 7ysh by Molmil](/molmil-images/mine/7ysh) | Cryo-EM Structure of FGF23-FGFR1c-aKlotho-HS Quaternary Complex | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, COPPER (II) ION, Fibroblast growth factor 23, ... | Authors: | Mohammadi, M, Chen, L. | Deposit date: | 2022-08-12 | Release date: | 2023-04-19 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structural basis for FGF hormone signalling. Nature, 618, 2023
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2Q3X
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![BU of 2q3x by Molmil](/molmil-images/mine/2q3x) | The RIM1alpha C2B domain | Descriptor: | CHLORIDE ION, Regulating synaptic membrane exocytosis protein 1, SODIUM ION, ... | Authors: | Guan, R, Dai, H, Tomchick, D.R, Machius, M, Sudhof, T.C, Rizo, J. | Deposit date: | 2007-05-30 | Release date: | 2007-08-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of the RIM1alpha C(2)B Domain at 1.7 A Resolution. Biochemistry, 46, 2007
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7X4R
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8CT5
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8CTA
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![BU of 8cta by Molmil](/molmil-images/mine/8cta) | Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains | Descriptor: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase | Authors: | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | Deposit date: | 2022-05-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog., 19, 2023
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