8QPD
 
 | | Structure of thioredoxin m from pea | | Descriptor: | Thioredoxin M-type, chloroplastic | | Authors: | Neira, J.L, Camara Artigas, A. | | Deposit date: | 2023-10-01 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum.
Int.J.Biol.Macromol., 262, 2024
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6QLK
 | | Crystal structure of F181H UbiX in complex with prFMN | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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4TRZ
 | | Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor | | Descriptor: | 2-thiophenyl HEA-type inhibitor, Beta-secretase 1 | | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-06-18 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors
Bioorg.Med.Chem., 23, 2015
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6QFI
 | | Structure of human Mcl-1 in complex with BIM BH3 peptide | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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5XVP
 | | E. fae Cas1-Cas2/prespacer/target ternary complex revealing the fully integrated states | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(P*TP*TP*CP*TP*CP*CP*GP*AP*G)-3'), ... | | Authors: | Xiao, Y, Ng, S, Nam, K.H, Ke, A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
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5T62
 | | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis: 60S-Nmd3-Tif6-Lsg1 Complex | | Descriptor: | 25S Ribosomal RNA, 5.8S Ribosomal RNA, 5S Ribosomal RNA, ... | | Authors: | Malyutin, A.G, Musalgaonkar, S, Patchett, S, Frank, J, Johnson, A.W. | | Deposit date: | 2016-09-01 | | Release date: | 2017-02-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis.
EMBO J., 36, 2017
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6GZA
 | | Structure of murine leukemia virus capsid C-terminal domain | | Descriptor: | COBALT (II) ION, Capsid protein | | Authors: | Qu, K, Dolezal, M, Schur, F.K.M, Murciano, B, Rumlova, M, Ruml, T, Briggs, J.A.G. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5NB4
 | | Atomic resolution structure of C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, HYDROGENPHOSPHATE ION, ... | | Authors: | Sonani, R.R, Roszak, A.W, Ortmann de Percin Northumberland, C, Madamwar, D, Cogdell, R.J. | | Deposit date: | 2017-03-01 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM.
Photosyn. Res., 135, 2018
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8B6Y
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8BGK
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6H38
 | | The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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5HD7
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | Deposit date: | 2016-01-04 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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8VXF
 | | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | | Deposit date: | 2024-02-04 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
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8K77
 | | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and brivaracetam | | Descriptor: | (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamagata, A. | | Deposit date: | 2023-07-26 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
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5HEY
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8GD6
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, NICOTINIC ACID, NIO-LEU-AIB-ALA-AIB-LEU-AIB-CYS-AIB-LEU-BPH | | Authors: | Hess, S.S, Nguyen, A.I. | | Deposit date: | 2023-03-03 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
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5KLO
 | | Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A | | Descriptor: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | | Deposit date: | 2016-06-24 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
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4RPH
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6GYH
 | | Crystal structure of the light-driven proton pump Coccomyxa subellipsoidea Rhodopsin CsR | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Family A G protein-coupled receptor-like protein, ... | | Authors: | Szczepek, M, Schmidt, A, Scheerer, P. | | Deposit date: | 2018-06-29 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of a light-gated proton channel based on the crystal structure ofCoccomyxarhodopsin.
Sci.Signal., 12, 2019
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6H5O
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8JS9
 | | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Botulinum neurotoxin, ... | | Authors: | Yamagata, A. | | Deposit date: | 2023-06-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
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8JS8
 | | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and levetiracetam | | Descriptor: | (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamagata, A. | | Deposit date: | 2023-06-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
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6R2V
 | | Arabidopsis NF-Y/CCAAT-box complex | | Descriptor: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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7R18
 | | Mink Variant SARS-CoV-2 Spike in Closed conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | | Deposit date: | 2022-02-02 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
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7B4J
 | | Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID | | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | | Deposit date: | 2020-12-02 | | Release date: | 2021-09-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
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