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5ETM
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BU of 5etm by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETN
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BU of 5etn by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETK
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BU of 5etk by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
3IDG
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BU of 3idg by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ALDKWD
分子名称: 2F5 Fab heavy chain, 2F5 Fab light chain, gp41 MPER peptide
著者Julien, J.P, Bryson, S, Pai, E.F.
登録日2009-07-21
公開日2010-03-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
5ETO
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BU of 5eto by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
6BZC
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BU of 6bzc by Molmil
Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis with bound Glucose-6-phosphate
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis with bound Glucose-6-phosphate
to be published
9M74
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BU of 9m74 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-104) in complex with double-stranded DNA contaning CACAGCTGTG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*GP*CP*TP*GP*TP*GP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Shohei, N, Masaru, T, Takuya, M.
登録日2025-03-09
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Single cis-elements in brassinosteroid-induced upregulated genes are insufficient to recruit both redox states of the BIL1/BZR1 DNA-binding domain.
Febs Lett., 2025
8I0S
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BU of 8i0s by Molmil
The cryo-EM structure of human Bact-II complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ...
著者Zhan, X, Lu, Y, Shi, Y.
登録日2023-01-11
公開日2024-07-31
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
8I0W
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BU of 8i0w by Molmil
The cryo-EM structure of human C complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Coiled-coil domain-containing protein 94, ...
著者Zhan, X, Lu, Y, Shi, Y.
登録日2023-01-11
公開日2024-07-31
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
5ETS
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BU of 5ets by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.95 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETT
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BU of 5ett by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
4BDC
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BU of 4bdc by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-(furan-2-ylmethyl)quinoxaline-6-carboxamide, ...
著者Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
5ETP
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BU of 5etp by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.05 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
4CH3
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BU of 4ch3 by Molmil
Structure of pyrrolysyl-tRNA synthetase in complex with adenylated butyryl lysine
分子名称: 1,2-ETHANEDIOL, 5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine, MAGNESIUM ION, ...
著者Fluegel, V, Vrabel, M, Schneider, S.
登録日2013-11-28
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
Plos One, 9, 2014
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
5OFJ
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BU of 5ofj by Molmil
Crystal structure of N-terminal domain of bifunctional CbXyn10C
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48
著者Hakulinen, N, Penttinen, L, Rouvinen, J.
登録日2017-07-11
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
7UPL
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BU of 7upl by Molmil
SARS-Cov2 Omicron varient S protein structure in complex with neutralizing monoclonal antibody 002-S21F2
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Patel, A, Ortlund, E.
登録日2022-04-15
公開日2022-08-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
9M73
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BU of 9m73 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-104) in complex with double-stranded DNA contaning CACATATGTG
分子名称: 1,2-ETHANEDIOL, E-box(CATATG)-containing DNA, Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Shohei, N, Masaru, T, Takuya, M.
登録日2025-03-09
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Single cis-elements in brassinosteroid-induced upregulated genes are insufficient to recruit both redox states of the BIL1/BZR1 DNA-binding domain.
Febs Lett., 2025
7FAV
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BU of 7fav by Molmil
Crystal Structure of Rubella Protease
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Quek, J.P.
登録日2021-07-07
公開日2022-07-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of the Rubella virus protease reveals a unique papain-like protease fold.
J.Biol.Chem., 298, 2022
1M5R
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BU of 1m5r by Molmil
Ternary complex of T4 phage BGT with UDP and a 13 mer DNA duplex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*TP*AP*TP*CP*TP*GP*AP*GP*TP*AP*TP*C)-3', ...
著者Lariviere, L, Morera, S.
登録日2002-07-10
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Base-flipping mechanism for the T4 phage beta-glucosyltransferase and identification of a transition state analog
J.Mol.Biol., 324, 2002
6BOV
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BU of 6bov by Molmil
Human APE1 substrate complex with an A/G mismatch adjacent the THF
分子名称: 21-mer DNA, DI(HYDROXYETHYL)ETHER, DNA-(apurinic or apyrimidinic site) lyase
著者Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
登録日2017-11-20
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
5FDX
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BU of 5fdx by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
分子名称: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-10-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
2VLH
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BU of 2vlh by Molmil
Quinonoid intermediate of Citrobacter freundii tyrosine phenol-lyase formed with methionine
分子名称: (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
著者Milic, D, Demidkina, T.V, Matkovic-Calogovic, D, Antson, A.A.
登録日2008-01-14
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights Into the Catalytic Mechanism of Tyrosine Phenol-Lyase from X-Ray Structures of Quinonoid Intermediates.
J.Biol.Chem., 283, 2008
5VA6
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BU of 5va6 by Molmil
CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26
分子名称: Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
4Z3O
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BU of 4z3o by Molmil
Quinolone(Moxifloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
分子名称: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA topoisomerase 4 subunit B,ParE30-ParC55 fused topo IV from S. pneumoniae, E-site DNA, ...
著者Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
登録日2015-03-31
公開日2016-09-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published

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