4XLE
| Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-13 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
|
|
8CSF
| WbbB D232C-Kdo adduct + alpha-Rha(1,3)GlcNAc ternary complex | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
|
|
7C67
| Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellotriose | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
|
|
8CSD
| WbbB D232C Kdo adduct | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
|
|
8DCU
| Lysozyme cluster 0028 (benzamidine ligand) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
|
|
8CSC
| WbbB D232N-Kdo adduct | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
|
|
6RNC
| Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
|
|
8D5D
| Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-arginine | Descriptor: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE, ... | Authors: | Phillips, R.S, Nguyen Hoang, K.N. | Deposit date: | 2022-06-04 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site. Arch.Biochem.Biophys., 731, 2022
|
|
8D88
| |
5T4E
| Human DPP4 in complex with ligand 19a | Descriptor: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2016-08-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
|
|
8D5R
| Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-ornithine | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ACETATE ION, ... | Authors: | Phillips, R.S, Nguyen Hoang, K.N. | Deposit date: | 2022-06-06 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site. Arch.Biochem.Biophys., 731, 2022
|
|
6ROT
| Thrombin in complex with MI2105 | Descriptor: | (2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2019-05-13 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.339 Å) | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
|
|
6RNB
| Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
|
|
6RPJ
| |
8DCV
| Lysozyme cluster 0043, NAG ligand | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
|
|
8D2B
| |
8D28
| |
8D2A
| |
8D5L
| Crystal structure of theophylline aptamer in complex with TAL1 | Descriptor: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Menichelli, E, Spraggon, G. | Deposit date: | 2022-06-05 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of small molecules that target a tertiary-structured RNA. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5SVP
| Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state | Descriptor: | 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2016-08-07 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.298 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
|
|
8D29
| |
8D38
| Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus | Descriptor: | Purine nucleoside phosphorylase, SODIUM ION | Authors: | Given, F, Johnston, J, Crittenden, D, Moran, F, Johns, A. | Deposit date: | 2022-05-31 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'. Acta Crystallogr.,Sect.F, 78, 2022
|
|
7CFS
| Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | Deposit date: | 2020-06-28 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1. Elife, 9, 2020
|
|
2DEA
| |
7CM8
| High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae | Descriptor: | Cysteine synthase, GLYCEROL, SODIUM ION | Authors: | Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S. | Deposit date: | 2020-07-25 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase. J.Biol.Chem., 296, 2020
|
|