5JGV
 
 | | Spin-Labeled T4 Lysozyme Construct A73V1 | | Descriptor: | CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ... | | Authors: | Balo, A.R, Feyrer, H, Ernst, O.P. | | Deposit date: | 2016-04-20 | | Release date: | 2017-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
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2VRJ
 | | Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine | | Descriptor: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Aguilar, M, Gloster, T.M, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Llebaria, A, Casas, J, Egido-Gabas, M, Garcia Fernandez, J.M. | | Deposit date: | 2008-04-09 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues.
Chembiochem, 9, 2008
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4DC5
 | | Crystal Structure of Thaumatin Unexposed to Excessive SONICC Imaging Laser Dose. | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Mulichak, A.M, Becker, M, Kissick, D.J, Keefe, L.J, Fischetti, R.F, Simpson, G.J. | | Deposit date: | 2012-01-17 | | Release date: | 2013-01-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Towards protein-crystal centering using second-harmonic generation (SHG) microscopy.
Acta Crystallogr.,Sect.D, 69, 2013
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6H5F
 | | LtgA disordered Helix | | Descriptor: | Putative soluble lytic murein transglycosylase | | Authors: | Williams, A.H. | | Deposit date: | 2018-07-24 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Defective lytic transglycosylase disrupts cell morphogenesis by hindering cell wall de-O-acetylation inNeisseria meningitidis.
Elife, 9, 2020
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5QJ6
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1614545742 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, MAGNESIUM ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QJJ
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z24758179 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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2ZWM
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5MO0
 | | Neutron structure of cationic trypsin in complex with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.502 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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6SOS
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7DRV
 | | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | | Deposit date: | 2020-12-29 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
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6SP4
 | | KEAP1 IN COMPLEX WITH COMPOUND 23 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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1MD0
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5MQ6
 | | Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Savino, S, Furst, M.J.L.J, Fraaije, M.W, Mattevi, A. | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila: A Structurally Distinct Biocatalyst for Bulky Substrates.
J. Am. Chem. Soc., 139, 2017
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7R5J
 | | Human nuclear pore complex (dilated) | | Descriptor: | Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ... | | Authors: | Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M. | | Deposit date: | 2022-02-10 | | Release date: | 2022-09-21 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (50 Å) | | Cite: | AI-based structure prediction empowers integrative structural analysis of human nuclear pores
Science, 376, 2022
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6VHV
 | | Klebsiella oxytoca NpsA in complex with 3-hydroxyanthranilyl-AMSN | | Descriptor: | 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, NpsA Adenylation Domain | | Authors: | Kreitler, D.F, Gulick, A.M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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5MQZ
 | | Archaeal branched-chain amino acid aminotransferase from Archaeoglobus fulgidus; holoform | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | James, P, Isupov, M.N, Sayer, C, Littlechild, J.A, Sutter, J.M, Schmidt, M, Schoenheit, P. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization.
Front Bioeng Biotechnol, 7, 2019
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7R8R
 | | Physachenolide C with Bromodomain (BRD3-BD1) | | Descriptor: | Bromodomain-containing protein 3, Physachenolide C | | Authors: | Fromme, R, Sivinski, J, Zerio, C, Gunatilaka, A.A.L, Chapman, E. | | Deposit date: | 2021-06-27 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
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1MID
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1VS1
 | | Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP | | Descriptor: | 3-deoxy-7-phosphoheptulonate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE | | Authors: | Shumilin, I.A, Zhou, L, Wu, J, Woodard, R.W, Bauerle, R, Kretsinger, R.H. | | Deposit date: | 2006-03-09 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
TO BE PUBLISHED
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7R62
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative | | Descriptor: | 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide, Estrogen receptor | | Authors: | Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza Sanchez, R, Marinier, A, Gleason, J, Greene, G.L, Mader, S.C, Fanning, S.W. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative
To Be Published
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8PAZ
 | | OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | | Authors: | Adman, E.T, Libeu, C.A.P. | | Deposit date: | 1997-02-24 | | Release date: | 1997-08-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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1APC
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5CUE
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening)
To be published
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3SK8
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS M98G apo protein at cryogenic temperature | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease | | Authors: | Doctrow, B.M, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | | Deposit date: | 2011-06-22 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS M98G apo protein at cryogenic temperature
To be Published
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8V6I
 | | DNA elongation complex (configuration 1) of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-12-01 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (14.06 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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