7MZC
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7JYB
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![BU of 7jyb by Molmil](/molmil-images/mine/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
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5J4K
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![BU of 5j4k by Molmil](/molmil-images/mine/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
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7MZA
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![BU of 7mza by Molmil](/molmil-images/mine/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
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8KG6
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![BU of 8kg6 by Molmil](/molmil-images/mine/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
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7MZ9
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![BU of 7mz9 by Molmil](/molmil-images/mine/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
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7MZ7
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7MZD
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8SZX
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7MZE
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![BU of 7mze by Molmil](/molmil-images/mine/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
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6EY8
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![BU of 6ey8 by Molmil](/molmil-images/mine/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
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5JCG
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6JRG
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![BU of 6jrg by Molmil](/molmil-images/mine/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
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7Y99
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![BU of 7y99 by Molmil](/molmil-images/mine/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
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6BEJ
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![BU of 6bej by Molmil](/molmil-images/mine/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
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7SMI
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![BU of 7smi by Molmil](/molmil-images/mine/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
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6F9Q
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![BU of 6f9q by Molmil](/molmil-images/mine/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
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6RFW
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![BU of 6rfw by Molmil](/molmil-images/mine/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
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6EZP
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![BU of 6ezp by Molmil](/molmil-images/mine/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
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7Q0M
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![BU of 7q0m by Molmil](/molmil-images/mine/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
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3HFA
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8OHZ
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![BU of 8ohz by Molmil](/molmil-images/mine/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
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7SGG
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8OI1
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![BU of 8oi1 by Molmil](/molmil-images/mine/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
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6RJ1
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