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6Z1W
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BU of 6z1w by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant A100C
Descriptor: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2020-05-14
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5FNV
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BU of 5fnv by Molmil
a new complex structure of tubulin with an alpha-beta unsaturated lactone
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, Y, Naismith, J, Zhu, X.
Deposit date:2015-11-16
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6TQG
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BU of 6tqg by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-12-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3PS0
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BU of 3ps0 by Molmil
The structure of the CRISPR-associated protein, csa2, from Sulfolobus solfataricus
Descriptor: CRISPR-Associated protein, CSA2
Authors:Lintner, N.G, Sdano, M, Young, M.J, Lawrence, C.M.
Deposit date:2010-11-30
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).
J.Biol.Chem., 286, 2011
8B72
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BU of 8b72 by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
Authors:Robinson, D.A, Moynie, L, Naismith, J.H, Gray, D.W.
Deposit date:2022-09-28
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
To Be Published
2XVO
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BU of 2xvo by Molmil
SSO1725, a protein involved in the CRISPR/Cas pathway
Descriptor: BETA-MERCAPTOETHANOL, SSO1725, SULFATE ION
Authors:Reeks, J, Liu, H, Naismith, J, White, M, McMahon, S.
Deposit date:2010-10-26
Release date:2010-12-29
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure and Mechanism of the Cmr Complex for Crispr-Mediated Antiviral Immunity.
Mol.Cell, 45, 2012
4AG3
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BU of 4ag3 by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL
Authors:Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
Deposit date:2012-01-24
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4AI4
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BU of 4ai4 by Molmil
crystal structure of E38Q mutant of 3-methyladenine DNA glycosylase I from Staphylococcus aureus
Descriptor: DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ZINC ION
Authors:Zhu, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
4AFN
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BU of 4afn by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL
Authors:Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
Deposit date:2012-01-20
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
6INH
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BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
Descriptor: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
Authors:Zhu, X.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
3D4K
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BU of 3d4k by Molmil
Concanavalin A Complexed to a Synthetic Analog of the Trimannoside
Descriptor: CALCIUM ION, Concanavalin-A, GLYCEROL, ...
Authors:Kadirvelraj, R, Foley, B.L, Dyekjaer, J.D, Woods, R.J.
Deposit date:2008-05-14
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Involvement of water in carbohydrate-protein binding: concanavalin A revisited.
J.Am.Chem.Soc., 130, 2008
1DGL
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BU of 1dgl by Molmil
LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Rozwarski, D.A, Swami, B.M, Brewer, C.F, Sacchettini, J.C.
Deposit date:1998-02-10
Release date:1999-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the lectin from Dioclea grandiflora complexed with core trimannoside of asparagine-linked carbohydrates.
J.Biol.Chem., 273, 1998
4EXB
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BU of 4exb by Molmil
Putative aldo-keto reductase from Pseudomona aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Schneider, G, Sandalova, T.
Deposit date:2012-04-30
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ETR
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BU of 4etr by Molmil
X-ray structure of PA2169 from Pseudomonas aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G.
Deposit date:2012-04-24
Release date:2013-01-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ES6
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BU of 4es6 by Molmil
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
Descriptor: CHLORIDE ION, Uroporphyrinogen-III synthase
Authors:Schnell, R, Schneider, G.
Deposit date:2012-04-22
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4EXA
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BU of 4exa by Molmil
Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2012-04-30
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
1AOG
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BU of 1aog by Molmil
TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, TRYPANOTHIONE REDUCTASE
Authors:Bond, C.S, Zhang, Y, Hunter, W.N.
Deposit date:1997-07-03
Release date:1997-09-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of trypanothione reductase from the human pathogen Trypanosoma cruzi at 2.3 A resolution.
Protein Sci., 5, 1996
1B57
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BU of 1b57 by Molmil
CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE
Descriptor: CHLORIDE ION, PHOSPHOGLYCOLOHYDROXAMIC ACID, PROTEIN (FRUCTOSE-BISPHOSPHATE ALDOLASE II), ...
Authors:Hall, D.R, Hunter, W.N.
Deposit date:1999-01-12
Release date:2000-01-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of Escherichia coli class II fructose-1, 6-bisphosphate aldolase in complex with phosphoglycolohydroxamate reveals details of mechanism and specificity.
J.Mol.Biol., 287, 1999
1ONA
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BU of 1ona by Molmil
CO-CRYSTALS OF CONCANAVALIN A WITH METHYL-3,6-DI-O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
Descriptor: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ...
Authors:Bouckaert, J, Maes, D, Poortmans, F, Wyns, L, Loris, R.
Deposit date:1996-07-07
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A structure of the complex between concanavalin A and methyl-3,6-di-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranoside reveals two binding modes.
J.Biol.Chem., 271, 1996
1MXS
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BU of 1mxs by Molmil
Crystal structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Descriptor: KDPG Aldolase, SULFATE ION
Authors:Watanabe, L, Bell, B.J, Lebioda, L, Rios-Steiner, J.L, Tulinsky, A, Arni, R.K.
Deposit date:2002-10-03
Release date:2003-09-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 59, 2003
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001

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