5JSB
 
 | | Crystal structure of Mcl1-inhibitor complex | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2016-05-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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5JTB
 | | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
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5JU8
 | | Cryo-EM structure of an ErmBL-stalled ribosome in complex with P-, and E-tRNA | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N. | | Deposit date: | 2016-05-10 | | Release date: | 2016-07-20 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
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5MDW
 | | Structure of ArfA(A18T) and RF2 bound to the 70S ribosome (pre-accommodated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V. | | Deposit date: | 2016-11-13 | | Release date: | 2016-12-14 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Translational termination without a stop codon.
Science, 354, 2016
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5MBV
 | | Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD. | | Descriptor: | Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | | Authors: | Wilkinson, M, Chaban, Y, Wigley, D.B. | | Deposit date: | 2016-11-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
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5NF9
 | | Structure of Galectin-3 CRD in complex with compound 2 | | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | | Deposit date: | 2017-03-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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5NFB
 | | Structure of Galectin-3 CRD in complex with compound 4 | | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | | Deposit date: | 2017-03-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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5NI4
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5NP4
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5NPQ
 | | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | Authors: | Shen, M, Perez-Dorado, I, Fedoryshchak, R, Tate, E.W. | | Deposit date: | 2017-04-18 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound.
To be published
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5KK5
 | | AsCpf1(E993A)-crRNA-DNA ternary complex | | Descriptor: | CRISPR-associated endonuclease Cpf1, DNA (28-MER), DNA (8-mer), ... | | Authors: | Gao, P, Yang, H, Rajashankar, K.R, Huang, Z, Patel, D.J. | | Deposit date: | 2016-06-21 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.289 Å) | | Cite: | Type V CRISPR-Cas Cpf1 endonuclease employs a unique mechanism for crRNA-mediated target DNA recognition.
Cell Res., 26, 2016
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5NQA
 | | Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ... | | Authors: | de las Rivas, M, Lira-Navarrete, E, Daniel, E.J.P, Companon, I, Coelho, H, Diniz, A, Jimenez-Barbero, J, Peregrina, J.M, Clausen, H, Corzana, F, Marcelo, F, Jimenez-Oses, G, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2017-04-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences.
Nat Commun, 8, 2017
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5NR8
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL | | Authors: | Podjarny, A, Fadel, F, Golebiowski, A. | | Deposit date: | 2017-04-22 | | Release date: | 2018-02-21 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
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5KN8
 | | MutY N-terminal domain in complex with undamaged DNA | | Descriptor: | Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*CP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Wang, L, Chakravarthy, S, Verdine, G.L. | | Deposit date: | 2016-06-27 | | Release date: | 2017-02-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Basis for the Lesion-scanning Mechanism of the MutY DNA Glycosylase.
J. Biol. Chem., 292, 2017
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5KNN
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5KPV
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure II) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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5KNL
 | | Crystal structure of S. pombe ubiquitin E1 (Uba1) in complex with Ubc15 and ubiquitin | | Descriptor: | SULFATE ION, Ubiquitin, Ubiquitin-activating enzyme E1 1, ... | | Authors: | Olsen, S.K, Lv, Z, Yuan, L, Williams, K. | | Deposit date: | 2016-06-28 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | S. pombe Uba1-Ubc15 Structure Reveals a Novel Regulatory Mechanism of Ubiquitin E2 Activity.
Mol. Cell, 65, 2017
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5NJV
 | | Flavivirus NS5 domain | | Descriptor: | CHLORIDE ION, NS5, S-ADENOSYLMETHIONINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
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5NKN
 | | Crystal structure of an Anticalin-colchicine complex | | Descriptor: | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A, Barkovskiy, M. | | Deposit date: | 2017-03-31 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications.
Biol. Chem., 400, 2019
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5KSD
 | | Crystal Structure of a Plasma Membrane Proton Pump | | Descriptor: | ATPase 2, plasma membrane-type, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Croll, T, Pedersen, B.P, Nissen, P. | | Deposit date: | 2016-07-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Improved Model of Proton Pump Crystal Structure Obtained by Interactive Molecular Dynamics Flexible Fitting Expands the Mechanistic Model for Proton Translocation in P-Type ATPases.
Front Physiol, 8, 2017
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5NJU
 | | Flavivirus NS5 domain | | Descriptor: | Genome polyprotein, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
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5KTE
 | | Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter | | Descriptor: | Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Bane, L.B, Gaudet, R, Weihofen, W.A, Singharoy, A. | | Deposit date: | 2016-07-11 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.941 Å) | | Cite: | Crystal Structure and Conformational Change Mechanism of a Bacterial Nramp-Family Divalent Metal Transporter.
Structure, 24, 2016
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5KW2
 | | The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation | | Descriptor: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1 | | Authors: | Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C. | | Deposit date: | 2016-07-15 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
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5KPW
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure III) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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5NL2
 | | cryo-EM structure of the mTMEM16A ion channel at 6.6 A resolution. | | Descriptor: | Anoctamin-1 | | Authors: | Paulino, C, Neldner, Y, Lam, K.M, Kalienkova, V, Brunner, J.D, Schenck, S, Dutzler, R. | | Deposit date: | 2017-04-03 | | Release date: | 2017-06-07 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structural basis for anion conduction in the calcium-activated chloride channel TMEM16A.
Elife, 6, 2017
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