5QTY
 
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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4WCX
 | | Crystal structure of HydG: A maturase of the [FeFe]-hydrogenase | | Descriptor: | ALANINE, Biotin and thiamin synthesis associated, FE (III) ION, ... | | Authors: | Dinis, P.C, Harmer, J.E, Driesener, R.C, Roach, P.L. | | Deposit date: | 2014-09-05 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4V5G
 | | The crystal structure of the 70S ribosome bound to EF-Tu and tRNA | | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V. | | Deposit date: | 2009-09-01 | | Release date: | 2014-07-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The crystal structure of the ribosome bound to EF-Tu and aminoacyl-tRNA.
Science, 326, 2009
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4W70
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4W81
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4WD5
 | | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | | Authors: | Yun, C.H, Eck, M.J. | | Deposit date: | 2014-09-07 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
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4WCI
 | | Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 | | Descriptor: | CD2-associated protein, Ras and Rab interactor 3, SULFATE ION | | Authors: | Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-04 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
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4V68
 | | T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Schuette, J.-C, Spahn, C.M.T. | | Deposit date: | 2008-12-11 | | Release date: | 2014-07-09 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | GTPase activation of elongation factor EF-Tu by the ribosome during decoding
Embo J., 28, 2009
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4W68
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4WO7
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4UTP
 | | Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed state | | Descriptor: | CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | | Deposit date: | 2014-07-22 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
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4UTO
 | | Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | | Deposit date: | 2014-07-22 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
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8CR1
 | | Homo sapiens Get1/Get2 heterotetramer in complex with a Get3 dimer | | Descriptor: | ATPase ASNA1, Guided entry of tail-anchored proteins factor CAMLG,Guided entry of tail-anchored proteins factor 1,GET2-GET1, ZINC ION | | Authors: | McDowell, M.A, Heimes, M, Wild, K, Sinning, I. | | Deposit date: | 2023-03-07 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
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6DJ9
 | | Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV) | | Descriptor: | Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15 | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-05-24 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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6E10
 | | PTEX Core Complex in the Engaged (Extended) State | | Descriptor: | Endogenous cargo polypeptide, Exported protein 2, Heat shock protein 101, ... | | Authors: | Ho, C, Lai, M, Zhou, Z.H. | | Deposit date: | 2018-07-08 | | Release date: | 2018-08-22 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | Malaria parasite translocon structure and mechanism of effector export.
Nature, 561, 2018
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6E11
 | | PTEX Core Complex in the Resetting (Compact) State | | Descriptor: | Endogenous cargo polypeptide, Exported protein 2, Heat shock protein 101, ... | | Authors: | Ho, C, Lai, M, Zhou, Z.H. | | Deposit date: | 2018-07-08 | | Release date: | 2018-08-22 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (4.23 Å) | | Cite: | Malaria parasite translocon structure and mechanism of effector export.
Nature, 561, 2018
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6E5P
 | | Backbone model based on cryo-EM map at 8.5 A of domain-swapped, glycan-reactive, neutralizing antibody 2G12 bound to HIV-1 Env BG505 DS-SOSIP, which was also bound to CD4-binding site antibody VRC03 | | Descriptor: | 2G12 Light chain, 2G12 heavy chain, Envelope glycoprotein gp120, ... | | Authors: | Acharya, P, Kwong, P.D. | | Deposit date: | 2018-07-21 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (8.8 Å) | | Cite: | Structural Survey of Broadly Neutralizing Antibodies Targeting the HIV-1 Env Trimer Delineates Epitope Categories and Characteristics of Recognition.
Structure, 27, 2019
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6EB1
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid | | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase | | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
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6ECW
 | | StiD O-MT residues 956-1266 | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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6EDX
 | | Crystal Structure of SGK3 PX domain | | Descriptor: | GLYCEROL, Serine/threonine-protein kinase Sgk3 | | Authors: | Chandra, M, Collins, B.M. | | Deposit date: | 2018-08-12 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
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6EQB
 | | HLA class I histocompatibility antigen | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ... | | Authors: | Rizkallah, P.J, Cole, D.K. | | Deposit date: | 2017-10-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | TCR-induced alteration of primary MHC peptide anchor residue.
Eur.J.Immunol., 49, 2019
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6E8T
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6E8Z
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6ECX
 | | StiE O-MT residues 942-1257 | | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein | | Authors: | Skiba, M.A, Bivins, M.B, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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5QQP
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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