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1NNX
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BU of 1nnx by Molmil
Structure of the hypothetical protein ygiW from E. coli.
Descriptor: Protein ygiW, SULFATE ION
Authors:Lehmann, C, Galkin, A, Pullalarevu, S, Sarikaya, E, Krajewski, W, Lim, K, Howard, A, Herzberg, O, Structure 2 Function Project (S2F)
Deposit date:2003-01-14
Release date:2004-03-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the hypothetical protein ygiW from E. coli.
To be Published
3QIW
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BU of 3qiw by Molmil
Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
Authors:Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-27
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3Q4K
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BU of 3q4k by Molmil
Structure of a small peptide ligand bound to E.coli DNA sliding clamp
Descriptor: DNA polymerase III subunit beta, peptide ligand
Authors:Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D.
Deposit date:2010-12-23
Release date:2011-12-28
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
3Q4L
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BU of 3q4l by Molmil
Structure of a small peptide ligand bound to E.coli DNA sliding clamp
Descriptor: DNA polymerase III subunit beta, SODIUM ION, peptide ligand
Authors:Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D.
Deposit date:2010-12-23
Release date:2011-12-28
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
2YKT
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BU of 2ykt by Molmil
Crystal structure of the I-BAR domain of IRSp53 (BAIAP2) in complex with an EHEC derived Tir peptide
Descriptor: BRAIN-SPECIFIC ANGIOGENESIS INHIBITOR 1-ASSOCIATED PROTEIN 2, SULFATE ION, TRANSLOCATED INTIMIN RECEPTOR PROTEIN
Authors:de Groot, J.C, Schlueter, K, Carius, Y, Quedenau, C, Vingadassalom, D, Faix, J, Weiss, S.M, Reichelt, J, Standfuss-Gabisch, C, Lesser, C.F, Leong, J.M, Heinz, D.W, Buessow, K, Stradal, T.E.B.
Deposit date:2011-05-30
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural Basis for Complex Formation between Human Irsp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. Coli.
Structure, 19, 2011
5QIF
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BU of 5qif by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIE
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BU of 5qie by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894
Descriptor: FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIC
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BU of 5qic by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z30620520
Descriptor: FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIH
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BU of 5qih by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2697514548
Descriptor: 1-methylindazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QID
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BU of 5qid by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869
Descriptor: 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIB
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BU of 5qib by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5WSN
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BU of 5wsn by Molmil
Structure of Japanese encephalitis virus
Descriptor: E protein, M protein
Authors:Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z.
Deposit date:2016-12-07
Release date:2017-05-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
5LJO
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BU of 5ljo by Molmil
E. coli BAM complex (BamABCDE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J.
Deposit date:2016-07-19
Release date:2016-10-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
1MFI
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BU of 1mfi by Molmil
CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE
Descriptor: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR)
Authors:Taylor, A.B, Johnson Jr, W.H, Czerwinski, R.M, Whitman, C.P, Hackert, M.L.
Deposit date:1998-08-12
Release date:1999-06-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-p-hydroxycinnamate at 1.8 A resolution: implications for enzymatic catalysis and inhibition.
Biochemistry, 38, 1999
2QFQ
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BU of 2qfq by Molmil
E. coli EPSP synthase Pro101Leu liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-27
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
2QFT
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BU of 2qft by Molmil
E.coli EPSP synthase Pro101Ser liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
2QFS
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BU of 2qfs by Molmil
E.coli EPSP synthase Pro101Ser liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
2QFU
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BU of 2qfu by Molmil
E.coli EPSP synthase Pro101Leu liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
4V41
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BU of 4v41 by Molmil
E. COLI (LAC Z) BETA-GALACTOSIDASE (NCS CONSTRAINED MONOMER-MONOCLINIC)
Descriptor: BETA-GALACTOSIDASE, MAGNESIUM ION
Authors:Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W.
Deposit date:2000-06-07
Release date:2014-07-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation.
Protein Sci., 9, 2000
9FL3
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BU of 9fl3 by Molmil
Crystal structure of IL-17A in complex with compound 26
Descriptor: (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A
Authors:Rondeau, J.M, Lehmann, S, Scheufler, C.
Deposit date:2024-06-04
Release date:2024-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
8F6C
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BU of 8f6c by Molmil
E. coli cytochrome bo3 ubiquinol oxidase dimer
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Guo, Y, Karimullina, E, Borek, D, Savchenko, A.
Deposit date:2022-11-16
Release date:2022-11-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
8F68
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BU of 8f68 by Molmil
E. coli cytochrome bo3 ubiquinol oxidase monomer
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Guo, Y, Karimullina, E, Borek, D, Savchenko, A.
Deposit date:2022-11-16
Release date:2022-11-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
5LRY
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BU of 5lry by Molmil
E coli [NiFe] Hydrogenase Hyd-1 mutant E28D
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J.Am.Chem.Soc., 140, 2018
6QEL
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BU of 6qel by Molmil
E. coli DnaBC apo complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ...
Authors:Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
6QEM
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BU of 6qem by Molmil
E. coli DnaBC complex bound to ssDNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION, ...
Authors:Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019

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