7OSE
 
 | | cytochrome bd-II type oxidase with bound aurachin D | | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | | Deposit date: | 2021-06-08 | | Release date: | 2021-11-17 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
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8QSO
 | | Crystal structure of human Mcl-1 in complex with compound 1 | | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | | Deposit date: | 2023-10-10 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
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6Q0U
 | | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | | Descriptor: | 1,2-ETHANEDIOL, Erbin, peptide | | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2019-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
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7ONP
 | | Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ... | | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.408 Å) | | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
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6Z66
 | | Crystal structure of apo-state neurotensin receptor 1 | | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-05-27 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.192 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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8UD6
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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5N15
 | | First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | Deposit date: | 2017-02-05 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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8GF9
 | | Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids | | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2023-03-07 | | Release date: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
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5N38
 | | S65DParkin and pUB complex | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, ... | | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | | Deposit date: | 2017-02-08 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity.
Nat. Struct. Mol. Biol., 24, 2017
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6ZG3
 | | the structure of ECF PanT transporter in a complex with a nanobody | | Descriptor: | CA14381 nanobody, CITRIC ACID, Conserved hypothetical membrane protein, ... | | Authors: | Setyawati, I, Guskov, A, Slotboom, D.J. | | Deposit date: | 2020-06-18 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In vitro reconstitution of dynamically interacting integral membrane subunits of energy-coupling factor transporters.
Elife, 9, 2020
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8OJ8
 | | 60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native) | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | | Deposit date: | 2023-03-24 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
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8OJ0
 | | 60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native) | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | | Deposit date: | 2023-03-23 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
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8OJ5
 | | 60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (in-vitro reconstitution) | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Penchev, I, DaRosa, P.A, Peter, J.J, Kulathu, Y, Becker, T, Beckmann, R, Kopito, R. | | Deposit date: | 2023-03-23 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
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5NBW
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7Q52
 | | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
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7U1Y
 | | Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+ | | Descriptor: | COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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6ZBO
 | | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ... | | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Chemmedchem, 16, 2021
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7TYV
 | | Structure of Lassa Virus glycoprotein (Josiah) bound to Fab 25.10C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 25.10C Fab Heavy Chain, ... | | Authors: | Enriquez, A.S, Hastie, K.M. | | Deposit date: | 2022-02-14 | | Release date: | 2022-06-01 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022
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6X91
 | | Crystal structure of MBP-fused human APOBEC1 | | Descriptor: | CACODYLATE ION, Maltodextrin-binding protein, C->U-editing enzyme APOBEC-1 chimera, ... | | Authors: | Wolfe, A.D, Li, S.-X, Chen, X.S. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | The structure of APOBEC1 and insights into its RNA and DNA substrate selectivity.
NAR Cancer, 2, 2020
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6PYC
 | | Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin | | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ... | | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | | Deposit date: | 2019-07-29 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VND
 | | Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 | | Descriptor: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
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7ST7
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7ST6
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7RM5
 | | MicroED structure of the human adenosine receptor at 2.8A | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, CHOLESTEROL, ... | | Authors: | Martynowycz, M.W, Shiriaeva, A, Ge, X, Hattne, J, Nannenga, B.L, Cherezov, V, Gonen, T. | | Deposit date: | 2021-07-26 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.79 Å) | | Cite: | MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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