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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
7ES2
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BU of 7es2 by Molmil
a mutant of glycosyktransferase in complex with UDP and Reb D
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, rebaudioside D
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERX
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BU of 7erx by Molmil
Glycosyltransferase in complex with UDP and STB
Descriptor: GLYCEROL, Glycosyltransferase, Steviolbioside, ...
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES1
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BU of 7es1 by Molmil
glycosyltransferase in complex with UDP and ST
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, steviol-19-o-glucoside
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES0
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BU of 7es0 by Molmil
a rice glycosyltransferase in complex with UDP and REX
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERY
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BU of 7ery by Molmil
apo form of the glycosyltransferase
Descriptor: Glycosyltransferase
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
5O77
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BU of 5o77 by Molmil
Klebsiella pneumoniae OmpK35
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, OmpK35
Authors:van den berg, B, Pathania, M, Zahn, M.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
5O79
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BU of 5o79 by Molmil
Klebsiella pneumoniae OmpK36
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
Authors:van den berg, B, Pathania, M.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
5OO4
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BU of 5oo4 by Molmil
Streptomyces PAC13 with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO5
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BU of 5oo5 by Molmil
Streptomyces PAC13 with uridine uronic acid
Descriptor: Putative cupin_2 domain-containing isomerase, uridine uronic acid
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OOA
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BU of 5ooa by Molmil
Streptomyces PAC13 (Y89F) with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
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
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
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
4B9E
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BU of 4b9e by Molmil
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA.
Descriptor: GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ...
Authors:Schmidberger, J.W, Schnell, R, Schneider, G.
Deposit date:2012-09-04
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 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
4B9A
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BU of 4b9a by Molmil
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa.
Descriptor: GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION
Authors:Schmidberger, J.W, Schnell, R, Schneider, G.
Deposit date:2012-09-03
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 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
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:2023-09-13
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
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
1QDC
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BU of 1qdc by Molmil
MAN(APLHA1-6)MAN(ALPHA1-O)METHYL CONCANAVALIN A COMPLEX
Descriptor: CALCIUM ION, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Bouckaert, J, Loris, R, Wyns, L.
Deposit date:1998-07-14
Release date:1999-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structures of Man(alpha1-3)Man(alpha1-O)Me and Man(alpha1-6)Man(alpha1-O)Me in complex with concanavalin A.
J.Biol.Chem., 274, 1999
1NLS
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BU of 1nls by Molmil
CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION
Descriptor: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION
Authors:Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J.
Deposit date:1997-01-28
Release date:1997-11-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution
J.Chem.Soc.,Faraday Trans., 93, 1997
1QDO
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BU of 1qdo by Molmil
MAN(APLHA1-3)MAN(ALPHA1-O)METHYL CONCANAVALIN A COMPLEX
Descriptor: CALCIUM ION, MANGANESE (II) ION, PROTEIN (CONCANAVALIN A), ...
Authors:Bouckaert, J, Loris, R, Wyns, L.
Deposit date:1999-05-24
Release date:1999-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structures of Man(alpha1-3)Man(alpha1-O)Me and Man(alpha1-6)Man(alpha1-O)Me in complex with concanavalin A.
J.Biol.Chem., 274, 1999
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

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