7MZC
 
 | |
7JYB
 | | Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | | Deposit date: | 2020-08-30 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
|
|
5J4K
 | | Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid | | Descriptor: | 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ... | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-01 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
|
|
7MZA
 | | Cryo-EM structure of minimal TRPV1 with 2 bound RTX in adjacent pockets | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
|
|
8KG6
 | | Yeast replisome in state I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ... | | Authors: | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | | Deposit date: | 2023-08-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
|
|
7MZ9
 | | Cryo-EM structure of minimal TRPV1 with 1 partially bound RTX | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
|
|
7MZ7
 | |
7MZD
 | |
8SZX
 | |
7MZE
 | | Cryo-EM structure of minimal TRPV1 with 2 bound RTX in opposite pockets | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
|
|
6EY8
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | Descriptor: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ... | | Authors: | Musil, D, Lehmann, M, Buchstaller, H.-P. | | Deposit date: | 2017-11-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
|
|
5JCG
 | |
6JRG
 | | Crystal structure of ZmMoc1 H253A mutant in complex with Holliday junction | | Descriptor: | DNA (32-MER), DNA (33-MER), MAGNESIUM ION, ... | | Authors: | Lin, Z, Lin, H, Zhang, D, Yuan, C. | | Deposit date: | 2019-04-03 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
|
|
7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
6BEJ
 | | Crystal structure of manganese superoxide dismutase from Xanthomonas citri | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Goto, L.S, Alexandrino, A.V, Pereira, C.M, Mendoca, D.C, Leonardo, D.A, Pereira, H.M, Garratt, R.C, Novo-Mansur, M.T.M. | | Deposit date: | 2017-10-25 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Structural characterization of a pathogenicity-related superoxide dismutase codified by a probably essential gene in Xanthomonas citri subsp. citri.
PLoS ONE, 14, 2019
|
|
7SMI
 | | Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea | | Descriptor: | L-galactose dehydrogenase | | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | Deposit date: | 2021-10-26 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
|
|
6F9Q
 | | Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+ | | Descriptor: | 7S-cis-cis-nepetalactol cyclase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lichman, B.R, Kamileen, M.O, Titchiner, G, Saalbach, G, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2017-12-15 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis.
Nat. Chem. Biol., 15, 2019
|
|
6RFW
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 | | Descriptor: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2019-04-16 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
|
|
6EZP
 | | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | | Deposit date: | 2017-11-16 | | Release date: | 2018-04-11 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
|
|
7Q0M
 | | Crystal structure of the peptide transporter YePEPT-K314A in complex with LZNV at 2.66 A | | Descriptor: | (2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid, Peptide transporter YePEPT, UNDECYL-MALTOSIDE | | Authors: | Jeckelmann, J.M, Stauffer, M, Ilgue, H, Fotiadis, D. | | Deposit date: | 2021-10-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022
|
|
3HFA
 | |
8OHZ
 | | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1) | | Descriptor: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | | Deposit date: | 2023-03-21 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
7SGG
 | |
8OI1
 | | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep4) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | | Deposit date: | 2023-03-21 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
6RJ1
 | |
