5EIW
 
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 | | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2015-10-30 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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8BJJ
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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6OQD
 | | Crystal structure of Mcl1 with inhibitor 8 | | Descriptor: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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8BR0
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin (residue Q3455 to L3863) in complex with 3'deoxyCTP and two manganese cations bound to Latrunculin-B-ADP-Mn-actin | | Descriptor: | 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Texeira-Nuns, M, Retailleau, P, Renault, L. | | Deposit date: | 2022-11-22 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.218 Å) | | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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6OQR
 | | E. coli ATP Synthase ADP State 1a | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Walshe, J.L, Sobti, M. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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6OR7
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | | Authors: | Bertoletti, N, Chan, A.H, Anderson, K.S. | | Deposit date: | 2019-04-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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6OS2
 | | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
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5EO7
 | | Crystal structure of AOL | | Descriptor: | Predicted protein, SULFATE ION, methyl 1-seleno-alpha-L-fucopyranoside | | Authors: | Kato, R, Kiso, M, Ishida, H, Ando, H, Suzuki, T, Shimabukuro, S, Makyio, H. | | Deposit date: | 2015-11-10 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Six independent fucose-binding sites in the crystal structure of Aspergillus oryzae lectin
Biochem.Biophys.Res.Commun., 477, 2016
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5EQ8
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6OUG
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct | | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2 | | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2019-05-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
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5XNO
 | | Structure of M-LHCII and CP24 complexes in the unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | Deposit date: | 2017-05-23 | | Release date: | 2017-09-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
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8B51
 | | Usutu virus methyltransferase domain in complex with sinefungin | | Descriptor: | GLYCEROL, GLYCINE, RNA-directed RNA polymerase NS5, ... | | Authors: | Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
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5EQH
 | | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8B52
 | | Usutu virus methyltransferase domain in complex with sinefungin | | Descriptor: | GLYCEROL, Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
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6OES
 | | Cryo-EM structure of mouse RAG1/2 STC complex (without NBD domain) | | Descriptor: | CALCIUM ION, DNA (34-MER), DNA (35-MER), ... | | Authors: | Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M. | | Deposit date: | 2019-03-27 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | How mouse RAG recombinase avoids DNA transposition.
Nat.Struct.Mol.Biol., 27, 2020
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5XH7
 | | Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | | Authors: | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | | Deposit date: | 2017-04-19 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
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5EIR
 | | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | | Descriptor: | Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ... | | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2015-10-30 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
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5XTH
 | | Cryo-EM structure of human respiratory supercomplex I1III2IV1 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | | Authors: | Gu, J, Wu, M, Yang, M. | | Deposit date: | 2017-06-19 | | Release date: | 2017-09-13 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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5XN2
 | | HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ... | | Authors: | Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. | | Deposit date: | 2017-05-17 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
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8BFW
 | | The structures of Ace2 in complex with bicyclic peptide inhibitor | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | Deposit date: | 2022-10-27 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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8BLO
 | | Human Urea Transporter UT-A (N-Terminal Domain Model) | | Descriptor: | Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline | | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
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8BLP
 | | Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14 | | Descriptor: | 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2022-11-10 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
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5EQA
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5EKQ
 | | The structure of the BamACDE subcomplex from E. coli | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | | Authors: | Bakelar, J, Buchanan, S.K, Noinaj, N. | | Deposit date: | 2015-11-04 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | The structure of the beta-barrel assembly machinery complex.
Science, 351, 2016
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6OQN
 | | Crystal structure of Mcl1 with inhibitor 7 | | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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