8DXS
 
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8BGN
 | | N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Diacetylchitobiose deacetylase, ... | | Authors: | Rypniewski, W, Bejger, M, Biniek-Antosiak, K. | | Deposit date: | 2022-10-28 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase from Pyrococcus chitonophagus.
Int J Mol Sci, 23, 2022
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8BGO
 | | N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus with substrate N,N-diacetylchitobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Diacetylchitobiose deacetylase, ZINC ION | | Authors: | Rypniewski, W, Bejger, M, Biniek-Antosiak, K. | | Deposit date: | 2022-10-28 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase from Pyrococcus chitonophagus.
Int J Mol Sci, 23, 2022
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8BGP
 | | N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus anomalous data | | Descriptor: | Diacetylchitobiose deacetylase, ZINC ION | | Authors: | Rypniewski, W, Biniek-Antosiak, K, Bejger, M. | | Deposit date: | 2022-10-28 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase from Pyrococcus chitonophagus.
Int J Mol Sci, 23, 2022
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8BA0
 | | Drosophila melanogaster complex I in the Twisted state (Dm2) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | | Authors: | Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | | Deposit date: | 2022-10-10 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
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8B9Z
 | | Drosophila melanogaster complex I in the Active state (Dm1) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Agip, A.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | | Deposit date: | 2022-10-10 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
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6KOE
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis | | Descriptor: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7LBX
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7LBW
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6KOC
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline | | Descriptor: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ASC
 | | Mre11 dimer in complex with Endonuclease inhibitor PFM04 | | Descriptor: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
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6KUF
 | | Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-09-02 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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8B7T
 | | CPSF73 CTD3 | | Descriptor: | CPSF73 | | Authors: | Thore, S, Mackereth, C. | | Deposit date: | 2022-10-03 | | Release date: | 2023-05-03 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Molecular details of the CPSF73-CPSF100 C-terminal heterodimer and interaction with Symplekin.
Open Biology, 13, 2023
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5T93
 | | Immunoglobulin light chain variable domain AL-T05 | | Descriptor: | ACETATE ION, ALT-05 immunoglobulin light chain variable domain from light chain amyloidosis patient, ZINC ION | | Authors: | Ramirez-Alvarado, M, Blancas-Mejia, L.M. | | Deposit date: | 2016-09-09 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differences in Protein Concentration Dependence for Nucleation and Elongation in Light Chain Amyloid Formation.
Biochemistry, 56, 2017
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8BA1
 | | CTD12-CTD12 heterodimer from CPSF73 and CPSF100 | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 3 | | Authors: | Thore, S, Mackereth, C. | | Deposit date: | 2022-10-10 | | Release date: | 2023-05-03 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Molecular details of the CPSF73-CPSF100 C-terminal heterodimer and interaction with Symplekin.
Open Biology, 13, 2023
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6L1J
 | | Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-09-29 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6B1R
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7LLQ
 | | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | | Descriptor: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | | Authors: | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | | Deposit date: | 2021-02-04 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
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6KOB
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis | | Descriptor: | AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, AA3-600 quinol oxidase subunit IV,Quinol oxidase subunit 4, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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158L
 | | CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Blaber, M, Matthews, B.W. | | Deposit date: | 1994-06-20 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
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5UJB
 | | Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin | | Descriptor: | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION, Serum albumin | | Authors: | Zhao, B. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017
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7RR3
 | | Structure of Deep-Sea Phage NrS-1 Primase-Polymerase N300 in complex with calcium and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, CALCIUM ION, Primase | | Authors: | Wang, L, Yu, C, Sliz, P. | | Deposit date: | 2021-08-09 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Molecular Dissection of the Primase and Polymerase Activities of Deep-Sea Phage NrS-1 Primase-Polymerase.
Front Microbiol, 12, 2021
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8BTJ
 | | Murine cytomegalovirus protein M35 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35 | | Authors: | Schmelz, S, Van den Heuvel, J, Blankenfeldt, W. | | Deposit date: | 2022-11-29 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The Cytomegalovirus M35 Protein Directly Binds to the Interferon-beta Enhancer and Modulates Transcription of Ifnb1 and Other IRF3-Driven Genes.
J.Virol., 97, 2023
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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6B1S
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