8DG7
 
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex III | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DFV
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIa | | Descriptor: | CALCIUM ION, Endoribonuclease Dcr-1, Loquacious, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-22 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DGI
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ia | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.94 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8TNU
 | | Cryo-EM structure of TRNM-b*01 Fab in complex with HIV-1 Env trimer BG505.DS SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... | | Authors: | Roark, R.S, Morano, N.C, Shapiro, L.S, Kwong, P.D. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-07 | | Last modified: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques.
Cell, 187, 2024
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8DG5
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIb | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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1DZY
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9I8I
 | | cryoEM structure of HIV-1 KAKA/G225R mature CA hexamer | | Descriptor: | HIV-1 KAKA/G225R CA hexamer | | Authors: | Zhu, Y, Shen, J, Shen, Y, Xu, J, Zhang, P. | | Deposit date: | 2025-02-05 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structural basis for HIV-1 capsid adaption to rescue IP6-packaging deficiency.
Biorxiv, 2025
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8TO7
 | | Cryo-EM structure of HERH-b*01 Fab in complex with HIV-1 Env trimer BG505.DS SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HERH-b*01 heavy chain, ... | | Authors: | Roark, R.S, Hoyt, F, Hansen, B, Fischer, E, Shapiro, L.S, Kwong, P.D. | | Deposit date: | 2023-08-03 | | Release date: | 2024-08-07 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques.
Cell, 187, 2024
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6U6F
 | | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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3IIC
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4TPK
 | | Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P, Gobec, S. | | Deposit date: | 2014-06-07 | | Release date: | 2014-10-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
J.Med.Chem., 57, 2014
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3IIT
 | | Factor XA in complex with a cis-1,2-diaminocyclohexane derivative | | Descriptor: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ... | | Authors: | Suzuki, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-08-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
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9I4F
 | | Blood Type B-converting alpha-1,3-galactosidase PpaGal from Pedobacter panaciterrae in its apo form | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,3-galactosidase PpaGal | | Authors: | Schmoeker, O, Moeller, C, Terholsen, H, Girbardt, B, Palm, G.J, Hoppen, J, Lammers, M, Bornscheuer, U.T. | | Deposit date: | 2025-01-24 | | Release date: | 2025-03-12 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification and Protein Engineering of Galactosidases for the Conversion of Blood Type B to Blood Type O.
Chembiochem, 26, 2025
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6WFJ
 | | Crystal structures of human E-NPP 1: apo | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Peat, T.S, Dennis, M, Newman, J. | | Deposit date: | 2020-04-03 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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7S15
 | | GLP-1 receptor bound with Pfizer small molecule agonist | | Descriptor: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | | Authors: | Liu, Y, Dias, J.M, Han, S. | | Deposit date: | 2021-09-01 | | Release date: | 2022-06-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor.
J.Med.Chem., 65, 2022
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6F3L
 | | The crystal structure of Glycogen Phosphorylase in complex with 10b | | Descriptor: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-02-28 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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7BMS
 | | HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant) | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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6IG8
 | | Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952 | | Descriptor: | (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Doi, S, Adachi, T. | | Deposit date: | 2018-09-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by the use of docking models.
Bioorg.Med.Chem.Lett., 29, 2019
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7BMR
 | | HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant) | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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7BMQ
 | | HEWL in cesium chloride (1.71 M CsCl in cryo protectant) | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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8G6U
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ... | | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | Deposit date: | 2023-02-16 | | Release date: | 2023-11-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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6X5U
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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7XJV
 | | Crystal Structure of Alpha-1,3-mannosyltransferase MNT2 from Saccharomyces cerevisiae, Mn/GDP-mannose form | | Descriptor: | Alpha-1,3-mannosyltransferase MNT2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Hira, D, Kadooka, C, Oka, T. | | Deposit date: | 2022-04-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Alpha-1,3-mannosyltransferase MNT2 from Saccharomyces cerevisiae, Mn/GDP-mannose form
To Be Published
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5G2N
 | | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | | Deposit date: | 2016-04-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
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8XN7
 | | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Huang, W.X, Liu, R, Ding, K. | | Deposit date: | 2023-12-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
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