7KGO
 
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N351-359 | | Descriptor: | Beta-2-microglobulin, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | Deposit date: | 2020-10-18 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
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7KZC
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7KZA
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7BOS
 | | Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | | Descriptor: | Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ... | | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
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7BM5
 | | Crystal structure of Fab1, the Fab fragment of the anti-BamA monoclonal antibody MAB1 | | Descriptor: | Fab1 heavy chain, Fab1 light chain | | Authors: | White, P, Storek, K.M, Rutherford, S.T, Radford, S.E. | | Deposit date: | 2021-01-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
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7L4L
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | | Deposit date: | 2020-12-19 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
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7L4E
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, ... | | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | | Deposit date: | 2020-12-18 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
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7BJT
 | | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | | Descriptor: | Alginate lyase, family PL17, CALCIUM ION, ... | | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
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7KZG
 | | Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2020-12-10 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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7KZ1
 | | Human MBD4 glycosylase domain bound to DNA containing an abasic site | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ... | | Authors: | Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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7KX4
 | | Anti-CCHFV ADI-36121 Fab | | Descriptor: | ADI-36121 Fab heavy chain, ADI-36121 Fab light chain | | Authors: | Mishra, A.K, McLellan, J.S. | | Deposit date: | 2020-12-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022
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7BHE
 | | DARPin_D5/Her3 domain 4 complex, monoclinic crystals | | Descriptor: | ACETATE ION, DARPin_D5, GLYCEROL, ... | | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | | Deposit date: | 2021-01-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5.
Acta Crystallogr.,Sect.F, 77, 2021
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7BHF
 | | DARPin_D5/Her3 domain 4 complex, orthorhombic crystals | | Descriptor: | ACETATE ION, DARPin_D5, Isoform 4 of Receptor tyrosine-protein kinase erbB-3 | | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | | Deposit date: | 2021-01-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5.
Acta Crystallogr.,Sect.F, 77, 2021
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7BDN
 | | Structure of the Streptomyces coelicolor small laccase - cubic crystal form | | Descriptor: | COPPER (II) ION, Putative copper oxidase | | Authors: | Zovo, K, Majumdar, S, Lukk, T. | | Deposit date: | 2020-12-22 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
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7AB2
 | | Crystal structure of MerTK kinase domain in complex with UNC2025 | | Descriptor: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | Deposit date: | 2020-09-05 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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7KQK
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7AB1
 | | Crystal structure of MerTK kinase domain in complex with Gilteritinib | | Descriptor: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | Deposit date: | 2020-09-05 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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7C1O
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7A1H
 | | Crystal structure of wild-type CI2 | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7LWA
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7LW9
 | | Human Exonuclease 5 crystal structure in complex with ssDNA, Sm, and Na | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*AP*TP*TP*GP*CP*TP*GP*AP*AP*GP*GP*G)-3'), ... | | Authors: | Tsai, C.L, Tainer, J.A. | | Deposit date: | 2021-02-28 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
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7BKY
 | | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | Deposit date: | 2021-01-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
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7LW8
 | | Human Exonuclease 5 crystal structure in complex with a ssDNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ... | | Authors: | Tsai, C.L, Tainer, J.A. | | Deposit date: | 2021-02-28 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
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7BKR
 | | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | Deposit date: | 2021-01-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
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7LZ2
 | | Structure of glutamate receptor-like channel GLR3.4 ligand-binding domain in complex with methionine | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gangwar, S.P, Green, M.N, Sobolevsky, A.I. | | Deposit date: | 2021-03-08 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
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