4JFE
 
 | | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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4JFW
 | | Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | | Descriptor: | (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene, IMIDAZOLE, SULFATE ION, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
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6FH3
 | | Protein arginine kinase McsB in the pArg-bound state | | Descriptor: | 1,2-ETHANEDIOL, Protein-arginine kinase, phospho-arginine | | Authors: | Suskiewicz, M.J, Heuck, A, Vu, L.D, Clausen, T. | | Deposit date: | 2018-01-12 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of McsB, a protein kinase for regulated arginine phosphorylation.
Nat.Chem.Biol., 15, 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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7OTA
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230 | | Descriptor: | ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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7OKD
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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6FKY
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8G9M
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4JMQ
 | | Crystal structure of pb9: The Dit of bacteriophage T5. | | Descriptor: | Bacteriophage T5 distal tail protein | | Authors: | Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C. | | Deposit date: | 2013-03-14 | | Release date: | 2013-11-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages.
J.Virol., 88, 2014
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7OKO
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8GHG
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7OTN
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247 | | Descriptor: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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8T52
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6FI8
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8TTN
 | | PHF1-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S396E, S400E, T403E, S404E) | | Descriptor: | Microtubule-associated protein tau | | Authors: | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | Deposit date: | 2023-08-14 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4JZZ
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7OZ2
 | | Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket | | Descriptor: | CADMIUM ION, DNA (28-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Das, K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
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6FK1
 | | Cyclophilin A | | Descriptor: | 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Lisboa, J, dos Santos, N.M.S. | | Deposit date: | 2018-01-23 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Production, crystallization and structure determination of cyclophilin A from Mus musculus
To Be Published
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7OSU
 | | sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1) | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Romero-Romero, S, Kordes, S, Hocker, B. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
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7OTZ
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259 | | Descriptor: | (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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8G46
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | | Authors: | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | | Deposit date: | 2023-02-08 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
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8TTL
 | | AT8-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S202E, T205E, S208E) | | Descriptor: | Microtubule-associated protein tau | | Authors: | El Mammeri, N, Dregni, A.J, Duan, P, Hong, M. | | Deposit date: | 2023-08-14 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7P12
 | | DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster | | Descriptor: | CHLORIDE ION, DeNovoTIM13-SB, PHOSPHATE ION | | Authors: | Kordes, S, Romero-Romero, S, Hocker, B. | | Deposit date: | 2021-07-01 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
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7P3T
 | | Transaminase of gamma-proteobacterium | | Descriptor: | Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ermler, U. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Chem.Commun.(Camb.), 57, 2021
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8TV1
 | | Structure of the EphA2 LBDCRD bound to FabS1C_L1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-08-17 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be published
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