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6VNT
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Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J.
登録日2020-01-29
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution.
To be Published
5N2R
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at 2.8A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562,ADENOSINE RECEPTOR A2A SOLUBLE CYTOCHROME B562 ADENOSINE RECEPTOR A2A,Adenosine receptor A2a, ...
著者Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
登録日2017-02-08
公開日2017-07-26
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
8QEZ
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Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution
分子名称: 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
著者Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S.
登録日2023-09-01
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
2GBH
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NMR structure of stem region of helix-35 of 23S E.coli ribosomal RNA (residues 736-760)
分子名称: 5'-R(*(GMP)P*GP*GP*CP*UP*AP*AP*UP*GP*(PSU)P*UP*GP*AP*AP*AP*AP*AP*UP*UP*AP*GP*CP*CP*C)-3'
著者Bax, A, Boisbouvier, J, Bryce, D, Grishaev, A, Jaroniec, C, Miclet, E, Nikonovicz, E, O'Neil-Cabello, E, Ying, J.
登録日2006-03-10
公開日2006-04-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Measurement of five dipolar couplings from a single 3D NMR multiplet applied to the study of RNA dynamics.
J.Am.Chem.Soc., 126, 2004
1PW7
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Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 9-beta-D-arabinofuranosyladenine and sulfate/phosphate
分子名称: 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
著者Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E.
登録日2003-06-30
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase.
J.Biol.Chem., 278, 2003
6GS4
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Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir
分子名称: DODECYL-BETA-D-MALTOSIDE, Dipeptide and tripeptide permease A, [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate, ...
著者Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
登録日2018-06-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
3WHI
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BU of 3whi by Molmil
Crystal structure of unautoprocessed form of IS1-inserted Pro-subtilisin E
分子名称: CALCIUM ION, Subtilisin E
著者Uehara, R, Angkawidjaja, C, Koga, Y, Kanaya, S.
登録日2013-08-26
公開日2013-12-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Formation of the High-Affinity Calcium Binding Site in Pro-subtilisin E with the Insertion Sequence IS1 of Pro-Tk-subtilisin
Biochemistry, 52, 2013
2JAM
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Crystal structure of human calmodulin-dependent protein kinase I G
分子名称: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ...
著者Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S.
登録日2006-11-29
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G
To be Published
5JE0
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BU of 5je0 by Molmil
Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and 1,6-didemethyltoxoflavin
分子名称: Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE, pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
1W98
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The structural basis of CDK2 activation by cyclin E
分子名称: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
著者Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N.
登録日2004-10-07
公開日2005-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
2BX2
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Catalytic domain of E. coli RNase E
分子名称: MAGNESIUM ION, RIBONUCLEASE E, RNA (5'-R(*UP*UP*UP*AP*CP*AP*GP*UP*AP*UP*UP* UP*GP*UP*U)-3'), ...
著者Marcaida, M.J, Callaghan, A.J, Scott, W.G, Luisi, B.F.
登録日2005-07-21
公開日2005-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover
Nature, 437, 2005
1ZKX
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BU of 1zkx by Molmil
Crystal structure of Glu158Ala/Thr159Ala/Asn160Ala- a triple mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-04
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
5JE1
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BU of 5je1 by Molmil
Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and toxoflavin
分子名称: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
5JDY
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BU of 5jdy by Molmil
Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH) and toxoflavin
分子名称: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Methyl transferase, ...
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
1ZL5
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Crystal structure of Glu335Gln mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-05
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-08
最終更新日2015-05-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
6GZ5
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BU of 6gz5 by Molmil
tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-3 (TI-POST-3)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V.
登録日2018-07-03
公開日2018-12-05
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis.
Cell Rep, 25, 2018
1ZKW
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Crystal structure of Arg347Ala mutant of botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-04
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
3BZE
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BU of 3bze by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
登録日2008-01-17
公開日2008-04-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
4Q0B
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BU of 4q0b by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with gap-RNA/DNA and Nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*G)-3', ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-04-01
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
1ZL6
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Crystal structure of Tyr350Ala mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: SULFATE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-05
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
1ZN3
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BU of 1zn3 by Molmil
Crystal structure of Glu335Ala mutant of Clostridium botulinum neurotoxin type E
分子名称: CHLORIDE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-11
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
1QZM
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alpha-domain of ATPase
分子名称: ATP-dependent protease La
著者Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A.
登録日2003-09-17
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
1QCZ
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CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY
分子名称: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
著者Ealick, S.E, Mathews, I.I.
登録日1999-05-10
公開日1999-11-10
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
1VRT
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HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-04-19
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995

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