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3ZKU
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BU of 3zku by Molmil
Isopenicillin N synthase with substrate analogue AhCV
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
Authors:Daruzzaman, A, Clifton, I.J, Rutledge, P.J.
Deposit date:2013-01-24
Release date:2013-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Interaction of Isopenicillin N Synthase with Homologated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Homocysteinyl-D-Xaa Characterised by Protein Crystallography.
Chembiochem, 14, 2013
3ZKY
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BU of 3zky by Molmil
Isopenicillin N synthase with substrate analogue AhCmC
Descriptor: FE (III) ION, GLYCEROL, ISOPENICILLIN N SYNTHASE, ...
Authors:Daruzzaman, A, Clifton, I.J, Rutledge, P.J.
Deposit date:2013-01-25
Release date:2013-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Interaction of Isopenicillin N Synthase with Homologated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Homocysteinyl-D-Xaa Characterised by Protein Crystallography.
Chembiochem, 14, 2013
8HUC
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BU of 8huc by Molmil
Crystal structure of PaIch (Pec1)
Descriptor: GLYCEROL, MaoC_dehydrat_N domain-containing protein, NITRATE ION
Authors:Pramanik, A, Datta, S.
Deposit date:2022-12-23
Release date:2023-12-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structural and functional insights of itaconyl-CoA hydratase from Pseudomonas aeruginosa highlight a novel N-terminal hotdog fold.
Febs Lett., 598, 2024
8I2K
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BU of 8i2k by Molmil
Crystal structure of transcriptional regulator pvrA from Pseudomonas aeruginosa.
Descriptor: Putative transcriptional regulator, TetR family
Authors:Pramanik, A, Datta, S.
Deposit date:2023-01-14
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal structure of transcriptional regulator pvrA from Pseudomonas aeruginosa.
To Be Published
4BB3
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BU of 4bb3 by Molmil
Isopenicillin N synthase with the dipeptide substrate analogue AhC
Descriptor: (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid, FE (III) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Daruzzaman, A, Clifton, I.J, Rutledge, P.J.
Deposit date:2012-09-19
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Crystal Structure of Isopenicillin N Synthase with a Dipeptide Substrate Analogue.
Arch.Biochem.Biophys., 530, 2013
4GOA
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BU of 4goa by Molmil
Crystal structure of jack bean urease inhibited with fluoride
Descriptor: FLUORIDE ION, NICKEL (II) ION, Urease
Authors:Balasubramania, A, Ponnuraj, K.
Deposit date:2012-08-19
Release date:2013-08-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of jack bean urease inhibited with fluoride
To be Published
4G7E
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BU of 4g7e by Molmil
Crystal structure of pigeon pea urease
Descriptor: MAGNESIUM ION, NICKEL (II) ION, urease
Authors:Balasubramanian, A, Ponnuraj, K.
Deposit date:2012-07-20
Release date:2013-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies on urease from pigeon pea (Cajanus cajan)
Int.J.Biol.Macromol., 58C, 2013
1W3V
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BU of 1w3v by Molmil
Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine D-a-hydroxyisovaleryl ester complex (anaerobic)
Descriptor: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
Authors:Daruzzaman, A, Clifton, I.J, Rutledge, P.J.
Deposit date:2004-07-20
Release date:2005-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase.
Chembiochem, 7, 2006
1W3X
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BU of 1w3x by Molmil
Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine D-a-hydroxyisovaleryl ester complex (Oxygen exposed 5 minutes 20 bar)
Descriptor: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE
Authors:Daruzzaman, A, Clifton, I.J, Rutledge, P.J.
Deposit date:2004-07-20
Release date:2005-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase.
Chembiochem, 7, 2006
1CNR
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BU of 1cnr by Molmil
CORRELATED DISORDER OF THE PURE PRO22(SLASH)LEU25 FORM OF CRAMBIN AT 150K REFINED TO 1.05 ANGSTROMS RESOLUTION
Descriptor: CRAMBIN, ETHANOL
Authors:Yamano, A, Teeter, M.M.
Deposit date:1993-07-15
Release date:1994-08-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Correlated disorder of the pure Pro22/Leu25 form of crambin at 150 K refined to 1.05-A resolution.
J.Biol.Chem., 269, 1994
8JI1
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BU of 8ji1 by Molmil
Crystal structure of Ham1 from Plasmodium falciparum
Descriptor: Inosine triphosphate pyrophosphatase
Authors:Pramanik, A, Datta, S.
Deposit date:2023-05-25
Release date:2024-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-function analysis of nucleotide housekeeping protein HAM1 from human malaria parasite Plasmodium falciparum.
Febs J., 291, 2024
8JHU
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BU of 8jhu by Molmil
Legionella effector protein SidI
Descriptor: Legionella pneumophila effector protein SidI
Authors:Wang, L, Subramanian, A, Mukherjee, S, Walter, P.
Deposit date:2023-05-25
Release date:2023-08-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
8GOG
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BU of 8gog by Molmil
Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))
Descriptor: CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ...
Authors:Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P.
Deposit date:2022-08-24
Release date:2024-02-28
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme
Nat Synth, 3, 2024
1AB1
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BU of 1ab1 by Molmil
SI FORM CRAMBIN
Descriptor: CRAMBIN (SER22/ILE25), ETHANOL
Authors:Teeter, M.M, Yamano, A.
Deposit date:1997-01-31
Release date:1997-08-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Crystal structure of Ser-22/Ile-25 form crambin confirms solvent, side chain substate correlations.
J.Biol.Chem., 272, 1997
7JRC
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BU of 7jrc by Molmil
Phospholipase D engineered mutant in complex with phosphate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PHOSPHATE ION, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-12
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JRV
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BU of 7jrv by Molmil
Phospholipase D engineered mutant bound to phosphatidic acid (30 minute soak)
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-13
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JRB
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BU of 7jrb by Molmil
Phospholipase D engineered mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Phospholipase D
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-12
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JRW
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BU of 7jrw by Molmil
Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak)
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-13
Release date:2021-04-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JS5
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BU of 7js5 by Molmil
Phospholipase D engineered mutant (TNYR) inactive enzyme (H168A) bound to 1-inositol phosphate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D-MYO-INOSITOL-1-PHOSPHATE, GLYCEROL, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-13
Release date:2021-04-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JS7
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BU of 7js7 by Molmil
Phospholipase D engineered mutant (TNYR) H442 covalent adduct with 1-inositol phosphate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D-MYO-INOSITOL-1-PHOSPHATE, GLYCEROL, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-13
Release date:2021-04-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JRU
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BU of 7jru by Molmil
Phospholipase D engineered mutant bound to phosphatidic acid (8 hour soak)
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Vrielink, A, Samantha, A.
Deposit date:2020-08-13
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
5J4K
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BU of 5j4k by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
Descriptor: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JEC
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BU of 5jec by Molmil
Apo-structure of humanised RadA-mutant humRadA33F
Descriptor: CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JED
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BU of 5jed by Molmil
Apo-structure of humanised RadA-mutant humRadA28
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5J4H
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BU of 5j4h by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid
Descriptor: 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016

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