6MR4
 
 | | Crystal structure of the Sth1 bromodomain from S.cerevisiae | | Descriptor: | Nuclear protein STH1/NPS1 | | Authors: | Seo, H.S, Hashimoto, H, Krolak, A, Debler, E.W, Blus, B.J. | | Deposit date: | 2018-10-11 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Substrate Affinity and Specificity of the ScSth1p Bromodomain Are Fine-Tuned for Versatile Histone Recognition.
Structure, 27, 2019
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7TA6
 | | Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
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6XKH
 | | THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine) | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, ACETATE ION, ... | | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevsky, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
To Be Published
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6V29
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6MS9
 | | GDP-bound KRAS P34R mutant | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Bera, A.K, Westover, K.D. | | Deposit date: | 2018-10-16 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
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7TGV
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2 | | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | Deposit date: | 2022-01-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
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7OB4
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7QPG
 | | Human RZZ kinetochore corona complex. | | Descriptor: | Centromere/kinetochore protein zw10 homolog, Kinetochore-associated protein 1, Protein zwilch homolog | | Authors: | Raisch, T, Ciossani, G, d'Amico, E, Cmetowski, V, Carmignani, S, Maffini, S, Merino, F, Wohlgemuth, S, Vetter, I.R, Raunser, S, Musacchio, A. | | Deposit date: | 2022-01-04 | | Release date: | 2022-03-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the RZZ complex and molecular basis of Spindly-driven corona assembly at human kinetochores.
Embo J., 41, 2022
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5K7I
 | | IRAK4 in complex with AZ3864 | | Descriptor: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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7TGS
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | Deposit date: | 2022-01-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
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7TGU
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 | | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | Deposit date: | 2022-01-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
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8T9Y
 | | Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ... | | Authors: | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | | Deposit date: | 2023-06-26 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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6MUW
 | | The structure of the Plasmodium falciparum 20S proteasome. | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2018-10-23 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis.
Nat Microbiol, 4, 2019
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6FFI
 | | Crystal Structure of mGluR5 in complex with MMPEP at 2.2 A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | | Authors: | Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. | | Deposit date: | 2018-01-08 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures.
J.Med.Chem., 62, 2019
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7K00
 | | Structure of the Bacterial Ribosome at 2 Angstrom Resolution | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Watson, Z.L, Ward, F.R, Meheust, R, Ad, O, Schepartz, A, Banfield, J.F, Cate, J.H.D. | | Deposit date: | 2020-09-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Structure of the bacterial ribosome at 2 angstrom resolution.
Elife, 9, 2020
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5MXY
 | | KustC0563 c-type cytochrome | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cytochrome c-552 Ks_3358, ... | | Authors: | Mohd, A, Barends, T. | | Deposit date: | 2017-01-25 | | Release date: | 2018-02-14 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
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6SEE
 | | Class2A : CENP-A nucleosome in complex with CENP-C central region | | Descriptor: | Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ... | | Authors: | Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N. | | Deposit date: | 2019-07-29 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
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8THI
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (parallel dimer) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, SODIUM ION, Sialic acid TRAP transporter permease protein SiaT | | Authors: | Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
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8THJ
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (antiparallel dimer) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ... | | Authors: | Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
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6V8N
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7TA3
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6PQ1
 | | Structure of the Fremyella diplosiphon OCP1 | | Descriptor: | Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | | Authors: | Sutter, M, Dominguez-Martin, M.A, Bao, H, Kerfeld, C.A. | | Deposit date: | 2019-07-08 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Comparative ultrafast spectroscopy and structural analysis of OCP1 and OCP2 from Tolypothrix.
Biochim Biophys Acta Bioenerg, 1861, 2020
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7TGT
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 | | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | Deposit date: | 2022-01-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
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6FKG
 | | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
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8TIC
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ... | | Authors: | Sudom, A, Min, X. | | Deposit date: | 2023-07-19 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
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