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5UJI
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BU of 5uji by Molmil
Crystal structure of human T2-Tryptophanyl-tRNA synthetase with H130R mutation
Descriptor: Tryptophan--tRNA ligase, cytoplasmic
Authors:Xu, X, Yang, X.-L.
Deposit date:2017-01-18
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:An alternative conformation of human TrpRS suggests a role of zinc in activating non-enzymatic function.
RNA Biol, 15, 2018
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-11-07
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7Y78
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BU of 7y78 by Molmil
Crystal structure of Cry78Aa
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, Toxin
Authors:Cao, B.B, Nie, Y.F, Wang, N.C, Guan, Z.Y, Zhang, D.L, Zhang, J.
Deposit date:2022-06-21
Release date:2022-08-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of Cry78Aa from Bacillus thuringiensis provides insights into its insecticidal activity.
Commun Biol, 5, 2022
7Y79
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BU of 7y79 by Molmil
Crystal structure of Cry78Aa
Descriptor: Toxin
Authors:Cao, B.B, Nie, Y.F, Wang, N.C, Guan, Z.Y, Zhang, D.L, Zhang, J.
Deposit date:2022-06-21
Release date:2022-08-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The crystal structure of Cry78Aa from Bacillus thuringiensis provides insights into its insecticidal activity.
Commun Biol, 5, 2022
8HIY
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BU of 8hiy by Molmil
AtALMT9 plus malate
Descriptor: Aluminum-activated malate transporter 9
Authors:Gong, D.S.
Deposit date:2022-11-22
Release date:2024-03-06
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity.
Cell Rep, 43, 2024
8HIW
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BU of 8hiw by Molmil
AtALMT9 in the apo state
Descriptor: Aluminum-activated malate transporter 9, CITRIC ACID
Authors:Gong, D.S.
Deposit date:2022-11-22
Release date:2024-03-06
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity.
Cell Rep, 43, 2024
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
2QKT
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BU of 2qkt by Molmil
Crystal Structure of the 5th PDZ domain of InaD
Descriptor: Inactivation-no-after-potential D protein
Authors:Ranganathan, R, Socolich, M.
Deposit date:2007-07-11
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007
5W2L
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BU of 5w2l by Molmil
Structure of a central domain of human Ctc1
Descriptor: CST complex subunit CTC1, MERCURY (II) ION
Authors:Rice, C, Skordalakes, E.
Deposit date:2017-06-06
Release date:2017-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and functional analysis of an OB-fold in human Ctc1 implicated in telomere maintenance and bone marrow syndromes.
Nucleic Acids Res., 46, 2018
5W2O
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BU of 5w2o by Molmil
Crystal structure of Mycobacterium tuberculosis KasA
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
6A5N
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BU of 6a5n by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A5K
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BU of 6a5k by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 1
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2OT5
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BU of 2ot5 by Molmil
Crystal structure of the HIV gp41 core with the enfuvirtide resistance mutation N43D
Descriptor: HIV-1 gp41 glycoprotein
Authors:Bai, X, Seedorff, J.E, Green, J, Dwyer, J.J.
Deposit date:2007-02-07
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5ZF2
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BU of 5zf2 by Molmil
Crystal structure of Trxlp from Edwardsiella tarda EIB202
Descriptor: SULFATE ION, Thioredoxin (H-type,TRX-H)
Authors:Yang, C, Quan, S.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Edwardsiella piscicida thioredoxin-like protein inhibits ASK1-MAPKs signaling cascades to promote pathogenesis during infection.
Plos Pathog., 15, 2019
2QKV
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BU of 2qkv by Molmil
Crystal Structure of the C645S Mutant of the 5th PDZ Domain of InaD
Descriptor: Inactivation-no-after-potential D protein
Authors:Ranganathan, R, Socolich, M.
Deposit date:2007-07-11
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007
2QKU
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BU of 2qku by Molmil
The 5th PDZ Domain of InaD in 10mM DTT
Descriptor: GLYCEROL, Inactivation-no-after-potential D protein
Authors:Ranganathan, R, Socolich, M, Wall, M.
Deposit date:2007-07-11
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007
6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
Deposit date:2019-05-07
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
4JAJ
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BU of 4jaj by Molmil
Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE
Descriptor: Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one
Authors:Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S.
Deposit date:2013-02-18
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Descriptor: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
7YI9
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BU of 7yi9 by Molmil
Cryo-EM structure of SAM-bound MTA1-MTA9-p1-p2 complex
Descriptor: MT-a70 family protein, MTA9, P1, ...
Authors:Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P.
Deposit date:2022-07-15
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023
7YI8
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BU of 7yi8 by Molmil
Cryo-EM structure of SAH-bound MTA1-MTA9-p1-p2 complex
Descriptor: MT-a70 family protein, MTA9, P1, ...
Authors:Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P.
Deposit date:2022-07-15
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023

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