6GQY
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![BU of 6gqy by Molmil](/molmil-images/mine/6gqy) | KRAS-169 Q61H GPPNHP + CH-3 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8W0X
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6NW1
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![BU of 6nw1 by Molmil](/molmil-images/mine/6nw1) | Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin V37N | Descriptor: | NICKEL (II) ION, Rubredoxin | Authors: | Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S. | Deposit date: | 2019-02-05 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin Acs Catalysis, 2019
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6YVH
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![BU of 6yvh by Molmil](/molmil-images/mine/6yvh) | CWC22-CWC27-EIF4A3 Complex | Descriptor: | Eukaryotic initiation factor 4A-III, Pre-mRNA-splicing factor CWC22 homolog, Spliceosome-associated protein CWC27 homolog | Authors: | Basquin, J, Busetto, V, LeHir, H, Conti, E. | Deposit date: | 2020-04-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural and functional insights into CWC27/CWC22 heterodimer linking the exon junction complex to spliceosomes. Nucleic Acids Res., 48, 2020
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6YWC
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![BU of 6ywc by Molmil](/molmil-images/mine/6ywc) | De novo designed protein 4E1H_95 in complex with 101F antibody | Descriptor: | Antibody 101F, Heavy Chain, light chain, ... | Authors: | Yang, C, Sesterhenn, F, Pojer, F, Correia, B.E. | Deposit date: | 2020-04-29 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Bottom-up de novo design of functional proteins with complex structural features. Nat.Chem.Biol., 17, 2021
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6Q3Y
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![BU of 6q3y by Molmil](/molmil-images/mine/6q3y) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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7ADP
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![BU of 7adp by Molmil](/molmil-images/mine/7adp) | Cryo-EM structure of human ER membrane protein complex in GDN detergent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ... | Authors: | Braeuning, B, Prabu, J.R, Miller-Vedam, L.E, Weissman, J.S, Frost, A, Schulman, B.A. | Deposit date: | 2020-09-15 | Release date: | 2020-12-02 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients. Elife, 9, 2020
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8V4Y
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![BU of 8v4y by Molmil](/molmil-images/mine/8v4y) | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 2024
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5M4R
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![BU of 5m4r by Molmil](/molmil-images/mine/5m4r) | Structural tuning of CD81LEL (space group C2) | Descriptor: | 1,2-ETHANEDIOL, CD81 antigen, SULFATE ION | Authors: | Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G. | Deposit date: | 2016-10-19 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop. Structure, 25, 2017
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7QDU
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6ZPM
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![BU of 6zpm by Molmil](/molmil-images/mine/6zpm) | Crystal structure of the unconventional kinetochore protein Trypanosoma cruzi KKT4 coiled coil domain | Descriptor: | THREONINE, Trypanosoma cruzi KKT4 117-218 | Authors: | Ludzia, P, Lowe, D.E, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | Deposit date: | 2020-07-08 | Release date: | 2020-10-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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8A5V
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![BU of 8a5v by Molmil](/molmil-images/mine/8a5v) | Crystal structure of the human phosposerine aminotransferase (PSAT) | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase, SULFATE ION | Authors: | Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B. | Deposit date: | 2022-06-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase. Protein Sci., 32, 2023
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8V6V
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![BU of 8v6v by Molmil](/molmil-images/mine/8v6v) | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-12-03 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 2024
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7QDP
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6NYB
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![BU of 6nyb by Molmil](/molmil-images/mine/6nyb) | Structure of a MAPK pathway complex | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Park, E, Rawson, S, Li, K, Jeon, H, Eck, M.J. | Deposit date: | 2019-02-11 | Release date: | 2019-10-09 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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6QE5
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![BU of 6qe5 by Molmil](/molmil-images/mine/6qe5) | Structure of E.coli RlmJ in complex with the natural cofactor product S-adenosyl-homocysteine (SAH) | Descriptor: | Ribosomal RNA large subunit methyltransferase J, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C. | Deposit date: | 2019-01-04 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites. Rna Biol., 16, 2019
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6G2T
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![BU of 6g2t by Molmil](/molmil-images/mine/6g2t) | human cardiac myosin binding protein C C1 Ig-domain bound to native cardiac thin filament | Descriptor: | Actin, cytoplasmic 2, Myosin-binding protein C, ... | Authors: | Risi, C, Belknap, B, Forgacs, E, Harris, S.P, Schroder, G.F, White, H.D, Galkin, V.E. | Deposit date: | 2018-03-23 | Release date: | 2018-10-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | N-Terminal Domains of Cardiac Myosin Binding Protein C Cooperatively Activate the Thin Filament. Structure, 26, 2018
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6QIB
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8W0V
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8W0W
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6NS3
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![BU of 6ns3 by Molmil](/molmil-images/mine/6ns3) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. I222 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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4Y81
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![BU of 4y81 by Molmil](/molmil-images/mine/4y81) | Yeast 20S proteasome in complex with Ac-PAY-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAY-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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6S52
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![BU of 6s52 by Molmil](/molmil-images/mine/6s52) | The crystal structure of glycogen phosphorylase in complex with 14 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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7B9H
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![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | Authors: | Torretta, A, Abbate, S, Parisini, E. | Deposit date: | 2020-12-14 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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8T4C
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