8VQ4
 
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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6PAF
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6VCM
 | | Crystal structure of E.coli RppH-DapF in complex with GTP, Mg2+ and F- | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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8DYT
 | | Cryo-EM structure of 227 Fab in complex with (NPNA)8 peptide | | Descriptor: | 227 Fab heavy chain, 227 Fab light chain, Circumsporozoite protein | | Authors: | Martin, G.M, Ward, A.B. | | Deposit date: | 2022-08-05 | | Release date: | 2023-08-02 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
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7PM0
 | | Cryo-EM structure of the actomyosin-V complex in the rigor state (central 1er, young JASP-stabilized F-actin, class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | | Deposit date: | 2021-09-01 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Elife, 10, 2021
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8E5R
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol | | Authors: | Taylor, A.B, Alwan, S.N. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
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6PNK
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5MQP
 | | Glycoside hydrolase BT_1002 | | Descriptor: | CALCIUM ION, Glycoside hydrolase BT_1002 | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
To Be Published
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7PLY
 | | Cryo-EM structure of the actomyosin-V complex in the rigor state (central 1er, young JASP-stabilized F-actin) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | | Deposit date: | 2021-09-01 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Elife, 10, 2021
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6V6W
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5MRB
 | | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-12-22 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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6V98
 | | Crystal structure of Type VI secretion system effector, TseH (VCA0285) | | Descriptor: | CALCIUM ION, Cysteine hydrolase | | Authors: | Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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5MRQ
 | | Arabidopsis thaliana IspD Asp262Ala Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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8E5Q
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol | | Authors: | Taylor, A.B, Alwan, S.N. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
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5MT2
 | | Glycoside hydrolase BT_0996 | | Descriptor: | Beta-galactosidase, GLYCEROL | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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6VAG
 | | Crystal structure of the oligomerization domain of phosphoprotein from parainfluenza virus 5 | | Descriptor: | GLYCEROL, Phosphoprotein | | Authors: | Aggarwal, M, Abdella, R, He, Y, Lamb, R.A. | | Deposit date: | 2019-12-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of a paramyxovirus polymerase complex reveals a unique methyltransferase-CTD conformation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7MN0
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8DYW
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8DYY
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6VAV
 | | Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-succinamoyl derivative (diNGS) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | | Deposit date: | 2019-12-18 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
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8DZ3
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6VCF
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | | Descriptor: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8B4N
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4R6O
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-08-26 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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