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5QGH
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BU of 5qgh by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000420a
Descriptor: (2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGR
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BU of 5qgr by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000022a
Descriptor: 5-(pyridin-2-yl)thiophene-2-carbothioamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH5
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BU of 5qh5 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000224a
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, N-(1,2-oxazol-3-yl)-2-phenylacetamide, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHL
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BU of 5qhl by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ...
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3HFU
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BU of 3hfu by Molmil
Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, HTH-type transcriptional regulator cynR
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Dong, A, Edwards, A.M, Savchenko, A.
Deposit date:2009-05-12
Release date:2009-06-09
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide
TO BE PUBLISHED
5QHB
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BU of 5qhb by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-332
Descriptor: 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Pilch, A, Arnold, E.
Deposit date:2019-10-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
5B63
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BU of 5b63 by Molmil
Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg)
Descriptor: Arginine--tRNA ligase, tRNA-Arg
Authors:Zhou, M, Ye, S, Stephen, P, Zhang, R, Wang, E.D, Giege, R, Lin, S.X.
Deposit date:2016-05-24
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg)
To Be Published
5NQI
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BU of 5nqi by Molmil
E.coli 16S rRNA Sarcin-Ricin Loop containing a 5-hydroxymethylcytosine modification
Descriptor: E.Coli 27-mer SRL RNA
Authors:Ennifar, E, Micura, R.
Deposit date:2017-04-20
Release date:2017-07-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine.
J. Org. Chem., 82, 2017
8Z7G
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BU of 8z7g by Molmil
Cryo-EM structure of SARS-CoV-2 S trimer in the early fusion intermediate conformation (E-FIC) (focused refinement of intact S2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Liu, Z, Xing, L.
Deposit date:2024-04-20
Release date:2025-02-05
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S trimer in the early fusion intermediate conformation (E-FIC) (focused refinement of intact S2)
To Be Published
8Z7P
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BU of 8z7p by Molmil
Cryo-EM structure of SARS-CoV-2 S trimer in the early fusion intermediate conformation (E-FIC)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liu, Z, Xing, L.
Deposit date:2024-04-20
Release date:2025-02-05
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S trimer in the early fusion intermediate conformation (E-FIC)
To Be Published
4PEY
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BU of 4pey by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose
Descriptor: Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4PEZ
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BU of 4pez by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritetraose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose, ...
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
3IOQ
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BU of 3ioq by Molmil
Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64.
Descriptor: 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ...
Authors:Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P.
Deposit date:2009-08-14
Release date:2010-02-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64
To be Published
4PF0
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BU of 4pf0 by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4PEW
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BU of 4pew by Molmil
Structure of sacteLam55A from Streptomyces sp. SirexAA-E
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative secreted protein
Authors:Bianchetti, C.M, Takasuka, T.E, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4PEX
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BU of 4pex by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4C2I
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BU of 4c2i by Molmil
Cryo-EM structure of Dengue virus serotype 1 complexed with Fab fragments of human antibody 1F4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fibriansah, G, Tan, J.L, de Alwis, R, Smith, S.A, Ng, T.-S, Kostyuchenko, V.A, Ibarra, K.D, Harris, E, de Silva, A, Crowe Junior, J.E, Lok, S.-M.
Deposit date:2013-08-18
Release date:2014-01-29
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A Potent Anti-Dengue Human Antibody Preferentially Recognizes the Conformation of E Protein Monomers Assembled on the Virus Surface.
Embo Mol.Med., 6, 2014
8EMM
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BU of 8emm by Molmil
Composite 70S ribosome structure for "Atomistic simulations of the E. coli ribosome provide selection criteria for translationally active substrates
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Watson, Z.L, Cate, J.H.D.
Deposit date:2022-09-28
Release date:2023-05-31
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates.
Nat.Chem., 15, 2023
1O6V
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BU of 1o6v by Molmil
Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed
Descriptor: CALCIUM ION, INTERNALIN A
Authors:Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W.
Deposit date:2002-10-16
Release date:2002-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin
Cell(Cambridge,Mass.), 111, 2002
4BUL
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BU of 4bul by Molmil
Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
Descriptor: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
Authors:Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
Deposit date:2013-06-20
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
1JWE
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BU of 1jwe by Molmil
NMR Structure of the N-Terminal Domain of E. Coli Dnab Helicase
Descriptor: PROTEIN (DNAB HELICASE)
Authors:Weigelt, J, Brown, S.E, Miles, C.S, Dixon, N.E, Otting, G.
Deposit date:1999-01-22
Release date:1999-01-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the N-terminal domain of E. coli DnaB helicase: implications for structure rearrangements in the helicase hexamer.
Structure Fold.Des., 7, 1999
3JCX
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BU of 3jcx by Molmil
Canine Parvovirus complexed with Fab E
Descriptor: Capsid protein 2, Fab E heavy chain, Fab E light chain
Authors:Organtini, L.J, Iketani, S, Huang, K, Ashley, R.E, Makhov, A.M, Conway, J.F, Parrish, C.R, Hafenstein, S.
Deposit date:2016-03-21
Release date:2016-07-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Near-Atomic Resolution Structure of a Highly Neutralizing Fab Bound to Canine Parvovirus.
J.Virol., 90, 2016
4TYV
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BU of 4tyv by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-07-09
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
1KG5
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BU of 1kg5 by Molmil
Crystal structure of the K142Q mutant of E.coli MutY (core fragment)
Descriptor: A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G.
Deposit date:2001-11-26
Release date:2002-11-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published

238582

數據於2025-07-09公開中

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