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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
分子名称: BENZYLAMINE, Nanobody, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Khanppnavar, B, Korkhov, V, Li, X.
登録日2023-07-02
公開日2024-04-03
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献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
分子名称: 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, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
登録日2021-03-16
公開日2021-09-01
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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
分子名称: 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, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
登録日2021-03-16
公開日2021-09-01
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S5, ...
著者Schuler, M, Connell, S.R, Lescoute, A, Giesebrecht, J, Dabrowski, M, Schroeer, B, Mielke, T, Penczek, P.A, Westhof, E, Spahn, C.M.T.
登録日2006-10-26
公開日2006-11-21
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Leukocyte immunoglobulin-like receptor subfamily B member 1, Rifin, ...
著者Xu, K, Kwong, P.D.
登録日2020-10-14
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献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
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B.
登録日2017-01-05
公開日2017-12-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: 2-SUCCINYLBENZOATE, MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE
著者Rayment, I, Thompson, T.B, Gerlt, J.A.
登録日2000-08-02
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: 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
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2016-06-20
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound S-adenosylhomocysteine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B.
登録日2017-01-05
公開日2017-12-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献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
分子名称: ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION
著者Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B.
登録日2019-11-21
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献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
分子名称: 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'), ...
著者Bax, B.D, Srikannathasan, V, Chan, P.F.
登録日2015-07-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Franken, L.E, Oostergetel, G.T, Pijning, T, Puri, P, Boekema, E.J, Poolman, B, Guskov, A.
登録日2017-01-26
公開日2017-10-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献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)
分子名称: 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')
著者Mullins, E.A, Eichman, B.F.
登録日2015-07-16
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献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
分子名称: FE2/S2 (INORGANIC) CLUSTER, [2FE-2S] FERREDOXIN
著者Rypniewski, W.R, Breiter, D.R, Benning, M.M, Wesenberg, G, Oh, B.-H, Markley, J.L, Rayment, I, Holden, H.M.
登録日1991-01-09
公開日1992-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
著者Lee, S.J, Lee, B.I.
登録日2017-08-09
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
分子名称: Ferritin BfrB
著者Zhang, Y, van Schayck, J.P, Knoops, K, Peters, P.J, Ravelli, R.B.G.
登録日2022-07-14
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-08-29
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
著者Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
登録日2016-09-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献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
分子名称: Aquaporin-1, CHOLESTEROL
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-13
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献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
分子名称: 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')
著者Wang, K.B, Dickerhoff, J, Wu, G, Yang, D.
登録日2019-11-18
公開日2020-03-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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+
分子名称: 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
著者Watkins, D, Koudelka, G.B, Williams, L.D.
登録日2009-09-18
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-C/E/F/G/I, ...
著者Ding, D.B, Ishibashi, T, Nguyen, T.T.
登録日2023-05-09
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Human canonical 601 DNA nucleosome
to be published
8JCD
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Human H2BFWTH100R nucleosome with 601 DNA
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type W-T, ...
著者Ding, D.B, Ishibashi, T, Nguyen, T.T.
登録日2023-05-11
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Human H2BFWTH100R nucleosome with 601 DNA
to be published
6J3E
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Crystal structure of an apo form of the glutathione S-transferase, CsGST63524, of Ceriporiopsis subvermispora
分子名称: 1,2-ETHANEDIOL, glutathione S-transferase
著者Osman, W.H.W, Mikami, B, Saka, N, Kondo, K, Nagata, T, Katahira, M.
登録日2019-01-04
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献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
分子名称: 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
著者Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
登録日2016-09-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献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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