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8PNU
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BU of 8pnu by Molmil
Cryo-EM structure of styrene oxide isomerase bound to benzylamine inhibitor
Descriptor: BENZYLAMINE, Nanobody, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Khanppnavar, B, Korkhov, V, Li, X.
Deposit date:2023-07-02
Release date:2024-04-03
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 2024
7EDF
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BU of 7edf by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDG
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BU of 7edg by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
2NOQ
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BU of 2noq by Molmil
Structure of ribosome-bound cricket paralysis virus IRES RNA
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S5, ...
Authors:Schuler, M, Connell, S.R, Lescoute, A, Giesebrecht, J, Dabrowski, M, Schroeer, B, Mielke, T, Penczek, P.A, Westhof, E, Spahn, C.M.T.
Deposit date:2006-10-26
Release date:2006-11-21
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structure of the ribosome-bound cricket paralysis virus IRES RNA.
Nat.Struct.Mol.Biol., 13, 2006
7KFK
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BU of 7kfk by Molmil
Crystal structure of LILRB1 D3D4 domain in complex with Plasmodium RIFIN (PF3D7_1373400) V2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Leukocyte immunoglobulin-like receptor subfamily B member 1, Rifin, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-10-14
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021
5UFM
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BU of 5ufm by Molmil
Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound 1,6-didemethyltoxoflavin and S-adenosylhomocysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B.
Deposit date:2017-01-05
Release date:2017-12-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase.
Biochemistry, 56, 2017
1FHV
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BU of 1fhv by Molmil
CRYSTAL STRUCTURE ANALYSIS OF O-SUCCINYLBENZOATE SYNTHASE FROM E. COLI COMPLEXED WITH MG AND OSB
Descriptor: 2-SUCCINYLBENZOATE, MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE
Authors:Rayment, I, Thompson, T.B, Gerlt, J.A.
Deposit date:2000-08-02
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evolution of enzymatic activity in the enolase superfamily: structure of o-succinylbenzoate synthase from Escherichia coli in complex with Mg2+ and o-succinylbenzoate.
Biochemistry, 39, 2000
5GHV
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BU of 5ghv by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5UFN
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BU of 5ufn by Molmil
Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound S-adenosylhomocysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B.
Deposit date:2017-01-05
Release date:2017-12-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase.
Biochemistry, 56, 2017
6V1S
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BU of 6v1s by Molmil
Structure of the Clostridioides difficile transferase toxin
Descriptor: ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B.
Deposit date:2019-11-21
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
5CDR
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BU of 5cdr by Molmil
2.65 structure of S.aureus DNA gyrase and artificially nicked DNA
Descriptor: DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*)-3'), DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5MYJ
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BU of 5myj by Molmil
Structure of 70S ribosome from Lactococcus lactis
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Franken, L.E, Oostergetel, G.T, Pijning, T, Puri, P, Boekema, E.J, Poolman, B, Guskov, A.
Deposit date:2017-01-26
Release date:2017-10-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:A general mechanism of ribosome dimerization revealed by single-particle cryo-electron microscopy.
Nat Commun, 8, 2017
5CLC
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BU of 5clc by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (9-mer B)
Descriptor: AlkD, DNA (5'-D(*AP*AP*GP*CP*CP*(DZM)P*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*GP*GP*CP*T)-3')
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
1FXA
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BU of 1fxa by Molmil
CRYSTALLIZATION AND STRUCTURE DETERMINATION TO 2.5-ANGSTROMS RESOLUTION OF THE OXIDIZED [2FE-2S] FERREDOXIN ISOLATED FROM ANABAENA 7120
Descriptor: FE2/S2 (INORGANIC) CLUSTER, [2FE-2S] FERREDOXIN
Authors:Rypniewski, W.R, Breiter, D.R, Benning, M.M, Wesenberg, G, Oh, B.-H, Markley, J.L, Rayment, I, Holden, H.M.
Deposit date:1991-01-09
Release date:1992-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallization and structure determination to 2.5-A resolution of the oxidized [2Fe-2S] ferredoxin isolated from Anabaena 7120.
Biochemistry, 30, 1991
5Y5U
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BU of 5y5u by Molmil
Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor
Descriptor: 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Lee, B.I.
Deposit date:2017-08-09
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors.
Mol. Cells, 41, 2018
8AEY
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BU of 8aey by Molmil
3 A CRYO-EM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FERRITIN FROM TIMEPIX3 detector
Descriptor: Ferritin BfrB
Authors:Zhang, Y, van Schayck, J.P, Knoops, K, Peters, P.J, Ravelli, R.B.G.
Deposit date:2022-07-14
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Integration of an Event-driven Timepix3 Hybrid Pixel Detector into a Cryo-EM Workflow
Microsc Microanal, 2023
5T4C
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BU of 5t4c by Molmil
Crystal structure of BhGH81 mutant in complex with laminaro-hexaose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5TBJ
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BU of 5tbj by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor LH1452
Descriptor: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
8CT2
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BU of 8ct2 by Molmil
Local refinement of AQP1 tetramer (C1; refinement mask included D1 of protein 4.2 and Ankyrin-1 AR1-5) in Class 2 of erythrocyte ankyrin-1 complex
Descriptor: Aquaporin-1, CHOLESTEROL
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-13
Release date:2022-07-20
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6V0L
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BU of 6v0l by Molmil
PDGFR-b Promoter Forms a G-Vacancy Quadruplex that Can be Complemented by dGMP: Molecular Structure and Recognition of Guanine Derivatives and Metabolites
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
Authors:Wang, K.B, Dickerhoff, J, Wu, G, Yang, D.
Deposit date:2019-11-18
Release date:2020-03-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs.
J.Am.Chem.Soc., 142, 2020
3JXD
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BU of 3jxd by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C in the presence of Rb+
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', RUBIDIUM ION, Repressor protein C2
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions.
J.Mol.Biol., 396, 2010
8JBX
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BU of 8jbx by Molmil
Human canonical 601 DNA nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-C/E/F/G/I, ...
Authors:Ding, D.B, Ishibashi, T, Nguyen, T.T.
Deposit date:2023-05-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Human canonical 601 DNA nucleosome
to be published
8JCD
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BU of 8jcd by Molmil
Human H2BFWTH100R nucleosome with 601 DNA
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type W-T, ...
Authors:Ding, D.B, Ishibashi, T, Nguyen, T.T.
Deposit date:2023-05-11
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Human H2BFWTH100R nucleosome with 601 DNA
to be published
6J3E
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BU of 6j3e by Molmil
Crystal structure of an apo form of the glutathione S-transferase, CsGST63524, of Ceriporiopsis subvermispora
Descriptor: 1,2-ETHANEDIOL, glutathione S-transferase
Authors:Osman, W.H.W, Mikami, B, Saka, N, Kondo, K, Nagata, T, Katahira, M.
Deposit date:2019-01-04
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structure of a serine-type glutathione S-transferase of Ceriporiopsis subvermispora and identification of the enzymatically important non-canonical residues by functional mutagenesis.
Biochem. Biophys. Res. Commun., 510, 2019
5LV5
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BU of 5lv5 by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor LH1458
Descriptor: 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018

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