8TCS
 
 | | Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | | Descriptor: | ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ... | | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2023-07-02 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
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7B73
 | | Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | | Deposit date: | 2020-12-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
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6SAB
 | | M-BUTX-Ptr1a (Parabuthus transvaalicus) | | Descriptor: | M-BUTX-Ptr1a | | Authors: | Meudal, H, Landon, C, Delmas, A.F. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists.
J.Med.Chem., 63, 2020
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7SWS
 | | Crystal structure of the chromoprotein amilCP | | Descriptor: | BROMIDE ION, CHLORIDE ION, Chromoprotein amilCP | | Authors: | Caputo, A.T, Newman, J, Scott, C, Ahmed, H. | | Deposit date: | 2021-11-21 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
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6EUU
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | | Descriptor: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EV0
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6URZ
 | | Barrier-to-autointegration factor soaked in methanol: 1 of 14 in MSCS set | | Descriptor: | Barrier-to-autointegration factor, ETHANOL, METHANOL | | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | Deposit date: | 2019-10-24 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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8TCR
 | | Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | | Descriptor: | COBALT (II) ION, MALONATE ION, Sugar phosphate isomerase, ... | | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2023-07-02 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
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8PE3
 | | Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6) | | Descriptor: | CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA | | Authors: | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | | Deposit date: | 2023-06-13 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
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7SWU
 | | Crystal structure of the chromoprotein spisPINK | | Descriptor: | Chromoprotein spisPINK | | Authors: | Caputo, A.T, Newman, J, Scott, C, Ahmed, H. | | Deposit date: | 2021-11-21 | | Release date: | 2022-04-20 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
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7SXK
 | | Kinetically trapped Pseudomonas-phage PaP3 portal protein - Full Length | | Descriptor: | Portal protein | | Authors: | Hou, C.F.D, Swanson, N.A, Li, F, Yang, R, Lokareddy, R.K, Cingolani, G. | | Deposit date: | 2021-11-23 | | Release date: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM Structure of a Kinetically Trapped Dodecameric Portal Protein from the Pseudomonas-phage PaP3.
J.Mol.Biol., 434, 2022
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6SEH
 | | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease | | Descriptor: | Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ZINC ION | | Authors: | Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
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6S9M
 | | Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ... | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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6SEU
 | | X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
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6EY5
 | | C-terminal part (residues 224-515) of PorM | | Descriptor: | T9SS component cytoplasmic membrane protein PorM, ZINC ION | | Authors: | Leone, P, Cambillau, C, Roussel, A. | | Deposit date: | 2017-11-10 | | Release date: | 2018-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
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5MWV
 | | Solid-state NMR Structure of outer membrane protein G in lipid bilayers | | Descriptor: | Outer membrane protein G | | Authors: | Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H. | | Deposit date: | 2017-01-20 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
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4XPV
 | | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-18 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6SG8
 | | Structure of Sosuga virus receptor binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Bowden, T.A, Stelfox, A.J. | | Deposit date: | 2019-08-02 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structure-based rationale for sialic acid independent host-cell entry of Sosuga virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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5MRL
 | | Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA) | | Descriptor: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J. | | Deposit date: | 2016-12-23 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine.
ACS Chem Neurosci, 8, 2017
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8TO6
 | | Escherichia coli RNA polymerase unwinding intermediate (I1d) at the lambda PR promoter | | Descriptor: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Darst, S.A, Saecker, R.M, Mueller, A.U. | | Deposit date: | 2023-08-02 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
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4XQZ
 | | Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
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6PBE
 | | ZINC17988990-bound TRPV5 in nanodiscs | | Descriptor: | (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate, Transient receptor potential cation channel subfamily V member 5 | | Authors: | Hughes, T.E.T, Rosario, J.S.D, Kapoor, A, Yazici, A.T, Fluck, E.C, Filizola, M, Rohacs, T, Moiseenkova-Bell, V.Y. | | Deposit date: | 2019-06-13 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structure-based characterization of novel TRPV5 inhibitors.
Elife, 8, 2019
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5M6Y
 | | Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2016-10-26 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.367 Å) | | Cite: | Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
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6SA6
 | | DARPin-Armadillo fusion A5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPin-Armadillo fusion A5 | | Authors: | Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Pluckthun, A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
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