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1A8I
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SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE
Descriptor: BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B
Authors:Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N.
Deposit date:1998-03-25
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
4YGA
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CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7
Descriptor: CALCIUM ION, Calmodulin-domain protein kinase 1, VHH-1B7
Authors:Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-02-26
Release date:2015-08-26
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Allosteric activation of apicomplexan calcium-dependent protein kinases.
Proc.Natl.Acad.Sci.USA, 112, 2015
7NWF
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BU of 7nwf by Molmil
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with hybrid-type glycan (GalGlcNAcMan5GlcNAc) product
Descriptor: Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Trastoy, B, Du, J.J, Garcia-Alija, M, Sundberg, E.J, Guerin, M.E.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:GH18 endo-beta-N-acetylglucosaminidases use distinct mechanisms to process hybrid-type N-linked glycans.
J.Biol.Chem., 297, 2021
6FQV
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2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA
Descriptor: DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ...
Authors:Bax, B.D, Germe, T, Basque, E, Maxwell, A.
Deposit date:2018-02-14
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
5LJ5
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BU of 5lj5 by Molmil
Overall structure of the yeast spliceosome immediately after branching.
Descriptor: CWC15, CWC22, Exon 1 (5' exon) of UBC4 pre-mRNA, ...
Authors:Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K.
Deposit date:2016-07-17
Release date:2016-08-31
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
6PXW
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BU of 6pxw by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the top part of the receptor complex.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-28
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
6FQS
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3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA
Descriptor: 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Germe, T, Basque, E, Maxwell, A.
Deposit date:2018-02-14
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J, Herzberg, O.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
1CB6
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BU of 1cb6 by Molmil
STRUCTURE OF HUMAN APOLACTOFERRIN AT 2.0 A RESOLUTION.
Descriptor: CHLORIDE ION, Lactotransferrin
Authors:Jameson, G.B, Anderson, B.F, Norris, G.E, Thomas, D.H, Baker, E.N.
Deposit date:1999-03-01
Release date:1999-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human apolactoferrin at 2.0 A resolution. Refinement and analysis of ligand-induced conformational change.
Acta Crystallogr.,Sect.D, 54, 1998
6BHJ
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BU of 6bhj by Molmil
Structure of HIV-1 Reverse Transcriptase Bound to a 38-mer Hairpin Template-Primer RNA-DNA Aptamer
Descriptor: 38-MER RNA-DNA Aptamer, GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
Authors:Ruiz, F.X, Miller, M.T, Tuske, S, Das, K, Arnold, E.
Deposit date:2017-10-30
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Integrative Structural Biology Studies of HIV-1 Reverse Transcriptase Binding to a High-Affinity DNA Aptamer
Curr Res Struct Biol, 2020
4Y8G
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BU of 4y8g by Molmil
Yeast 20S proteasome in complex with N3-APnLL-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-16
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
6DF8
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BU of 6df8 by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS), pH 6.5
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
7OGS
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BU of 7ogs by Molmil
X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to an interferon-stimulated response element
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*CP*TP*GP*AP*AP*AP*CP*CP*GP*AP*AP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*TP*AP*CP*TP*TP*TP*CP*GP*GP*TP*TP*TP*CP*AP*GP*TP*TP*A)-3'), Interferon regulatory factor 4
Authors:Agnarelli, A, El Omari, K, Alt, A.O, Mancini, E.J.
Deposit date:2021-05-07
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to interferon-stimulated response element
To Be Published
5H83
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BU of 5h83 by Molmil
HETEROYOHIMBINE SYNTHASE HYS FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase HYS
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
6O0G
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BU of 6o0g by Molmil
M.tb MenD bound to Intermediate I and Inhibitor
Descriptor: 1,4-dihydroxy-2-naphthoic acid, 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ...
Authors:Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Chuang, H, Nigon, L.V, Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
5MH3
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BU of 5mh3 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with K43A mutation
Descriptor: GLYCEROL, Natterin-3
Authors:Weinert, T, Warkentin, E, Pang, G.
Deposit date:2016-11-22
Release date:2017-12-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
1BOF
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BU of 1bof by Molmil
GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM
Descriptor: GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Coleman, D.E, Sprang, S.R.
Deposit date:1998-08-04
Release date:1999-01-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment.
Biochemistry, 37, 1998
8PO9
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BU of 8po9 by Molmil
Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arylphorin, ...
Authors:Illanes-Vicioso, R, Ruiz-Lopez, E, Sola, M, Bertocchini, F, Palomo, E.A.
Deposit date:2023-07-03
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva.
Sci Adv, 9, 2023
8E0F
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BU of 8e0f by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2-RD) bound to dsRNA containing a G-G pair adjacent to the target site
Descriptor: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5-R(*GP*CP*UP*CP*GP*CP*GP*AP*UP*GP*CP*GP*(8AZ)P*GP*AP*GP*GP*GP*CP* UP*CP*UP*GP*AP*UP*AP*GP*CP*UP*AP*CP*G)-3), ...
Authors:Wilcox, X.E, Fisher, A.J, Beal, P.A.
Deposit date:2022-08-09
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ADAR activation by inducing a syn conformation at guanosine adjacent to an editing site.
Nucleic Acids Res., 50, 2022
8PPK
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BU of 8ppk by Molmil
Bat-Hp-CoV Nsp1 and eIF1 bound to the human 40S small ribosomal subunit
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N.
Deposit date:2023-07-07
Release date:2023-10-18
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
Authors:Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6O04
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BU of 6o04 by Molmil
M.tb MenD IntII bound with Inhibitor
Descriptor: (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ...
Authors:Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N.
Deposit date:2019-02-15
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
3KS8
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BU of 3ks8 by Molmil
Crystal structure of Reston ebolavirus VP35 RNA binding domain in complex with 18bp dsRNA
Descriptor: 5'-R(*AP*GP*AP*AP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*A)-3', 5'-R(*UP*CP*CP*UP*CP*CP*CP*UP*CP*CP*CP*UP*CP*CP*UP*UP*CP*U)-3', Polymerase cofactor VP35
Authors:Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O.
Deposit date:2009-11-20
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression.
Proc.Natl.Acad.Sci.USA, 107, 2009
8PVV
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BU of 8pvv by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 30 nt RNA guide and 51 nt DNA target
Descriptor: Archaeoglobus fulgidus AfAgo-N protein, DNA (51-MER), MAGNESIUM ION, ...
Authors:Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Sasnauskas, G, Zagorskaite, E, Silanskas, A.
Deposit date:2023-07-18
Release date:2024-01-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
3KLH
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BU of 3klh by Molmil
Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010

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