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7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
Descriptor: HTH cro/C1-type domain-containing protein
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CSY
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BU of 7csy by Molmil
Pseudomonas aeruginosa antitoxin HigA with higBA promoter
Descriptor: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7KLZ
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BU of 7klz by Molmil
Structure of SPOP MATH domain in complex with a Geminin peptide
Descriptor: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2020-11-01
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
8E6Y
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BU of 8e6y by Molmil
NMR structure of Sa1_V90T at 30 degrees Celsius
Descriptor: Sa1_V90T_30C
Authors:Solomon, T.S, Orban, J.
Deposit date:2022-08-23
Release date:2023-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Reversible switching between two common protein folds in a designed system using only temperature.
Proc.Natl.Acad.Sci.USA, 120, 2023
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
Descriptor: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
Descriptor: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6IUG
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BU of 6iug by Molmil
Cryo-EM structure of the plant actin filaments from Zea mays pollen
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, pollen F-actin
Authors:Ren, Z.H, Zhang, Y, Zhang, Y, He, Y.Q, Du, P.Z, Wang, Z.X, Sun, F, Ren, H.Y.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM Structure of Actin Filaments fromZea maysPollen.
Plant Cell, 31, 2019
2MVT
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BU of 2mvt by Molmil
Solution structure of scoloptoxin SSD609 from Scolopendra mutilans
Descriptor: Scoloptoxin SSD609
Authors:Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C.
Deposit date:2014-10-14
Release date:2015-09-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
8PN9
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Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
Authors:Ramirez, A.S, Kowal, J, Locher, K.P.
Deposit date:2023-06-30
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024
5U8F
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BU of 5u8f by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U69
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BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
Descriptor: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U8A
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BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Descriptor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
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BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Descriptor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
Authors:Jakob, C.G, Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
Descriptor: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Habel, J.E.
Deposit date:2009-01-15
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
8SZX
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BU of 8szx by Molmil
Crystal structure of b'-WD40 Lys17Ala mutant
Descriptor: Coatomer subunit beta'
Authors:Dey, D, Hasan, S.S.
Deposit date:2023-05-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8WRJ
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BU of 8wrj by Molmil
glycosyltransferase UGT74AN3
Descriptor: 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Huang, W, Long, F.
Deposit date:2023-10-15
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8WRK
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glycosyltransferase UGT74AN3
Descriptor: Glycosyltransferase, PICEATANNOL, URIDINE-5'-DIPHOSPHATE
Authors:Huang, W, Long, F.
Deposit date:2023-10-15
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
7LKI
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BU of 7lki by Molmil
The crystal structure of Epitope III of HCV envelop protein E2 in complex with antibody 1H8
Descriptor: Epitope III peptide GLY-ALA-PRO-THR-TYR-SER-TRP-GLY, antibody 1H8 heavy chain, antibody 1H8 light chain
Authors:Deng, L, Zhang, P.
Deposit date:2021-02-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved epitope III on hepatitis C virus E2 protein has alternate conformations facilitating cell binding or virus neutralization.
Proc.Natl.Acad.Sci.USA, 118, 2021
8ENW
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BU of 8enw by Molmil
Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 clientized spike tail heptapeptide.
Descriptor: 1,2-ETHANEDIOL, Clientized spike tail peptide, Coatomer subunit beta'
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-09-30
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENY
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BU of 8eny by Molmil
Crystal structure of alpha-COPI-WD40 domain R13A mutant.
Descriptor: ACETYL GROUP, Putative coatomer subunit alpha
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-09-30
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENS
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BU of 8ens by Molmil
Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 spike tail hepta-peptide
Descriptor: Coatomer subunit beta', spike tail hepta-peptide
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-09-30
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023

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