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1U1G
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BU of 1u1g by Molmil
Structure of E. coli uridine phosphorylase complexed to 5-(m-(benzyloxy)benzyl)barbituric acid (BBBA)
分子名称: 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE, POTASSIUM ION, Uridine phosphorylase
著者Bu, W, Settembre, E.C, Ealick, S.E.
登録日2004-07-15
公開日2005-07-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for inhibition of Escherichia coli uridine phosphorylase by 5-substituted acyclouridines.
Acta Crystallogr.,Sect.D, 61, 2005
8RTZ
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BU of 8rtz by Molmil
The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor
分子名称: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P.
登録日2024-01-29
公開日2024-04-03
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery and chemical optimisation of a potent, Bi-cyclic antimicrobial inhibitor of Escherichia coli PBP3.
Commun Biol, 8, 2025
5CYM
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BU of 5cym by Molmil
HIV-1 reverse transcriptase complexed with 4-iodopyrazole
分子名称: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-30
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
4V7J
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BU of 4v7j by Molmil
Structure of RelE nuclease bound to the 70S ribosome (precleavage state)
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Neubauer, C, Gao, Y.-G, Andersen, K.R, Dunham, C.M, Kelley, A.C, Hentschel, J, Gerdes, K, Ramakrishnan, V, Brodersen, D.E.
登録日2009-11-02
公開日2014-07-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The structural basis for mRNA recognition and cleavage by the ribosome-dependent endonuclease RelE.
Cell(Cambridge,Mass.), 139, 2009
4V4N
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BU of 4v4n by Molmil
Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ...
著者Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
登録日2013-06-17
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
9BIB
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BU of 9bib by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation, C1 symmetry
分子名称: GLUTAMIC ACID, GLYCINE, Glutamate receptor, ...
著者Chou, T.-H, Furukawa, H.
登録日2024-04-23
公開日2024-07-31
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
1TZS
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BU of 1tzs by Molmil
Crystal Structure of an activation intermediate of Cathepsin E
分子名称: 23-mer peptide from PelB-IgG kappa light chain fusion protein, Cathepsin E, activation peptide from Cathepsin E
著者Ostermann, N, Gerhartz, B, Worpenberg, S, Trappe, J, Eder, J.
登録日2004-07-12
公開日2005-07-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of an activation intermediate of cathepsin e
J.Mol.Biol., 342, 2004
2I05
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BU of 2i05 by Molmil
Escherichia Coli Replication Terminator Protein (Tus) Complexed With TerA DNA
分子名称: 5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3', 5'-D(*TP*AP*GP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3', DNA replication terminus site-binding protein, ...
著者Oakley, A.J, Mulcair, M.D, Schaeffer, P.M, Dixon, N.E.
登録日2006-08-10
公開日2007-08-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Polarity of Termination of DNA Replication in E. coli
To be Published
3S7Q
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BU of 3s7q by Molmil
Crystal Structure of a Monomeric Infrared Fluorescent Deinococcus radiodurans Bacteriophytochrome chromophore binding domain
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ...
著者Auldridge, M.E, Satyshur, K.A, Forest, K.T.
登録日2011-05-26
公開日2012-01-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-guided engineering enhances a phytochrome-based infrared fluorescent protein.
J.Biol.Chem., 287, 2012
3S4U
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BU of 3s4u by Molmil
Crystal structure of open, unliganded E. coli PhnD H157A
分子名称: PhnD, subunit of alkylphosphonate ABC transporter
著者Alicea, I, Schreiter, E.R.
登録日2011-05-20
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors.
J.Mol.Biol., 414, 2011
4V7K
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BU of 4v7k by Molmil
Structure of RelE nuclease bound to the 70S ribosome (postcleavage state)
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Neubauer, C, Gao, Y.-G, Andersen, K.R, Dunham, C.M, Kelley, A.C, Hentschel, J, Gerdes, K, Ramakrishnan, V, Brodersen, D.E.
登録日2009-11-02
公開日2014-07-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The structural basis for mRNA recognition and cleavage by the ribosome-dependent endonuclease RelE.
Cell(Cambridge,Mass.), 139, 2009
5D3I
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BU of 5d3i by Molmil
Crystal structure of the SSL3-TLR2 complex
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feitsma, L.J, Huizinga, E.G.
登録日2015-08-06
公開日2015-08-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
分子名称: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
6T3L
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BU of 6t3l by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
登録日2019-10-11
公開日2020-04-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
6T3U
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BU of 6t3u by Molmil
PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S.
登録日2019-10-11
公開日2020-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
2V0D
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BU of 2v0d by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE, CELL DIVISION PROTEIN KINASE 2, CHLORIDE ION
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-05-14
公開日2007-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
5CYQ
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BU of 5cyq by Molmil
HIV-1 reverse transcriptase complexed with 4-bromopyrazole
分子名称: 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, BROMIDE ION, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-30
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
2I68
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BU of 2i68 by Molmil
Cryo-EM based theoretical model structure of transmembrane domain of the multidrug-resistance antiporter from E. coli EmrE
分子名称: Protein emrE
著者Fleishman, S.J, Harrington, S.E, Enosh, A, Halperin, D, Tate, C.G, Ben-Tal, N.
登録日2006-08-28
公開日2006-10-03
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (7.5 Å)
主引用文献Quasi-symmetry in the Cryo-EM Structure of EmrE Provides the Key to Modeling its Transmembrane Domain
J.Mol.Biol., 364, 2006
5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
1TOG
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BU of 1tog by Molmil
Hydrocinnamic acid-bound structure of SRHEPT + A293D mutant of E. coli aspartate aminotransferase
分子名称: Aspartate aminotransferase, HYDROCINNAMIC ACID
著者Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
登録日2004-06-14
公開日2004-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
6THD
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BU of 6thd by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E
分子名称: Genome polyprotein, MYRISTIC ACID, SULFATE ION
著者Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
登録日2019-11-19
公開日2020-12-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
2UZE
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BU of 2uze by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-04-27
公開日2007-06-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UYN
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BU of 2uyn by Molmil
Crystal structure of E. coli TdcF with bound 2-ketobutyrate
分子名称: 2-KETOBUTYRIC ACID, PROTEIN TDCF
著者Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
登録日2007-04-11
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
2UYJ
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BU of 2uyj by Molmil
Crystal structure of E. coli TdcF with bound ethylene glycol
分子名称: 1,2-ETHANEDIOL, PROTEIN TDCF
著者Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
登録日2007-04-10
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007

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