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4WN4
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BU of 4wn4 by Molmil
Crystal structure of designed cPPR-polyA protein
Descriptor: Pentatricopeptide repeat protein
Authors:Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
Deposit date:2014-10-10
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
4REW
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BU of 4rew by Molmil
Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
Deposit date:2014-09-24
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.58 Å)
Cite:Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
4WNQ
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BU of 4wnq by Molmil
THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION
Descriptor: TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-14
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
4WO4
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BU of 4wo4 by Molmil
The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition.
Descriptor: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
7V0E
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BU of 7v0e by Molmil
Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gao, L, Lu, J, Song, J.
Deposit date:2022-05-10
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27016377 Å)
Cite:Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations.
Nat Commun, 13, 2022
4RAH
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BU of 4rah by Molmil
Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.4 Angstrom resolution
Descriptor: Beta-2-microglobulin
Authors:Halabelian, L, Bolognesi, M, Ricagno, S.
Deposit date:2014-09-10
Release date:2015-09-16
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A covalent homodimer probing early oligomers along amyloid aggregation.
Sci Rep, 5, 2015
4RGR
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BU of 4rgr by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP
Descriptor: 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Repressor protein, ...
Authors:Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP
To be Published, 2014
7UY8
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BU of 7uy8 by Molmil
Tetrahymena Polymerase alpha-Primase
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:He, Y, Song, H, Chan, H, Wang, Y, Liu, B, Susac, L, Zhou, Z.H, Feigon, J.
Deposit date:2022-05-06
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of Tetrahymena telomerase-bound CST with polymerase alpha-primase.
Nature, 608, 2022
4RGS
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BU of 4rgs by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, GLYCEROL, Repressor protein, ...
Authors:Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with Vanilin
To be Published, 2014
5NVC
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BU of 5nvc by Molmil
Crystal structure of TNKS2 in complex with 2-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
Descriptor: 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-04
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
4WIO
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BU of 4wio by Molmil
Crystal structure of the C89A GMP synthetase inactive mutant from Plasmodium falciparum in complex with glutamine
Descriptor: GLUTAMINE, GMP synthetase
Authors:Ballut, L, Violot, S, Haser, R, Aghajari, N.
Deposit date:2014-09-26
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation.
Nat Commun, 6, 2015
4RGU
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BU of 4rgu by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid
To be Published, 2014
4RGT
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BU of 4rgt by Molmil
2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine.
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative uncharacterized protein
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-09-30
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine.
TO BE PUBLISHED
5NWD
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BU of 5nwd by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(diethylamino)phenyl]-3,4-dihydroquinazolin-4-one
Descriptor: 2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-05
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
4RGX
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BU of 4rgx by Molmil
Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
Descriptor: 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-30
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
To be Published, 2014
8K8T
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BU of 8k8t by Molmil
Structure of CUL3-RBX1-KLHL22 complex
Descriptor: Cullin-3, Kelch-like protein 22
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-07-31
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
3MCU
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BU of 3mcu by Molmil
Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215.
Descriptor: Dipicolinate synthase, B chain, PHOSPHATE ION
Authors:Vorobiev, S, Lew, S, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Foote, E.L, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-29
Release date:2010-04-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal structure of the dipicolinate synthase chain B from Bacillus cereus.
To be Published
8K9I
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BU of 8k9i by Molmil
Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-08-01
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
5KGX
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BU of 5kgx by Molmil
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-06-13
Release date:2016-10-19
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
7UKK
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BU of 7ukk by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease in complex with GC-376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-04-01
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
Descriptor: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
Authors:Zhang, W, Zhang, L, Benner, S, Huang, Z.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
7UJ9
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BU of 7uj9 by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-199)
Descriptor: 3C-like proteinase nsp5
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJU
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BU of 7uju by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-31
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
2E1D
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BU of 2e1d by Molmil
Crystal structure of mouse transaldolase
Descriptor: SULFITE ION, Transaldolase
Authors:Kishishita, S, Murayama, K, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-10-25
Release date:2007-11-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mouse transaldolase
To be Published
4R34
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BU of 4r34 by Molmil
X-ray structure of the tryptophan lyase NosL with Tryptophan, 5'-deoxyadenosine and methionine bound
Descriptor: 5'-DEOXYADENOSINE, BROMIDE ION, GLYCEROL, ...
Authors:Nicolet, Y, Zeppieri, L, Amara, P, Fontecilla-Camps, J.-C.
Deposit date:2014-08-14
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Tryptophan Lyase (NosL): Evidence for Radical Formation at the Amino Group of Tryptophan.
Angew.Chem.Int.Ed.Engl., 53, 2014

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