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7BVD
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BU of 7bvd by Molmil
Anthranilate synthase component I (TrpE)[Mycolicibacterium smegmatis]
Descriptor: Anthranilate synthase component 1, BENZOIC ACID, GLYCEROL, ...
Authors:Chen, Y, Che, S, Zhang, Q, Bartlam, M.
Deposit date:2020-04-10
Release date:2020-05-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of subunit I of the anthranilate synthase complex of Mycolicibacterium smegmatis
Biochem.Biophys.Res.Commun., 527, 2020
5YKT
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BU of 5ykt by Molmil
Crystal structure of a glutamate-1-semialdehyde-aminomutase (K286A) from Pseudomonas aeruginosa PAO1 in complex with PMP
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, Probable aminotransferase
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2017-10-16
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 500, 2018
1UJ1
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BU of 1uj1 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro)
Descriptor: 3C-like proteinase
Authors:Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
Deposit date:2003-07-25
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK2
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BU of 1uk2 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0
Descriptor: 3C-LIKE PROTEINASE
Authors:Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
Deposit date:2003-08-14
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK3
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BU of 1uk3 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6
Descriptor: 3C-like proteinase
Authors:Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
Deposit date:2003-08-14
Release date:2003-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK4
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BU of 1uk4 by Molmil
Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor
Descriptor: 3C-like proteinase nsp5, 5-mer peptide of inhibitor
Authors:Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
Deposit date:2003-08-14
Release date:2003-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
7EPO
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BU of 7epo by Molmil
Ketosteroid Isomerase KSI with 5-nitrobenzoxazole (5NBI)
Descriptor: 5-nitro-1,2-benzoxazole, SnoaL-like domain-containing protein
Authors:Liang, Y, Zhang, Q, Bartlam, M.
Deposit date:2021-04-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
7EPN
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BU of 7epn by Molmil
Ketosteroid Isomerase KSI native
Descriptor: SnoaL-like domain-containing protein
Authors:Liang, Y, Zhang, Q, Bartlam, M.
Deposit date:2021-04-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
3JU6
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BU of 3ju6 by Molmil
Crystal Structure of Dimeric Arginine Kinase in Complex with AMPPNP and Arginine
Descriptor: ARGININE, Arginine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
Deposit date:2009-09-14
Release date:2009-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
5WQM
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BU of 5wqm by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
Descriptor: Probable dehydrogenase, SODIUM ION
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2018-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ...
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
7D54
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BU of 7d54 by Molmil
Crstal structure MsGATase with Gln
Descriptor: GLUTAMINE, Glutamine amidotransferase class-I
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D4R
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BU of 7d4r by Molmil
SpuA native structure
Descriptor: MAGNESIUM ION, Probable glutamine amidotransferase
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D53
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BU of 7d53 by Molmil
SpuA mutant - H221N with Glu
Descriptor: GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
3L1N
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BU of 3l1n by Molmil
Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid
Descriptor: Cell wall antigen, PALMITIC ACID
Authors:Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y.
Deposit date:2009-12-14
Release date:2010-01-05
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
5Z2V
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BU of 5z2v by Molmil
Crystal structure of RecR from Pseudomonas aeruginosa PAO1
Descriptor: ANY 5'-MONOPHOSPHATE NUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Che, S, Zhang, Q, Bartlam, M.
Deposit date:2018-01-04
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of RecR, a member of the RecFOR DNA-repair pathway, from Pseudomonas aeruginosa PAO1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7FJ7
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BU of 7fj7 by Molmil
KpAckA (PduW) native structure
Descriptor: Probable propionate kinase
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:KpAckA (PduW) native structure
To Be Published
7FJ8
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BU of 7fj8 by Molmil
KpAckA (PduW) with AMP complex structure
Descriptor: ADENOSINE MONOPHOSPHATE, Probable propionate kinase
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KpAckA (PduW) with AMP complex structure
To Be Published
7FJ9
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BU of 7fj9 by Molmil
KpAckA (PduW) with AMPPNP complex structure
Descriptor: ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:KpAckA (PduW) with AMPPNP complex structure
To Be Published
7FJB
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BU of 7fjb by Molmil
KpAckA (PduW) with AMPPNP, sodium acetate complex structure
Descriptor: ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase, ...
Authors:Wenyue, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:KpAckA (PduW) with AMPPNP, sodium acetate complex structure
To Be Published
7FJA
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BU of 7fja by Molmil
KpAckA (PduW) with AMPPNP, ethylene glycol complex structure
Descriptor: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KpAckA (PduW) with AMPPNP, ethylene glycol complex structure
To Be Published
4ZHW
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BU of 4zhw by Molmil
Crystal structure of a bacterial signalling protein (N-terminal truncation)
Descriptor: YfiB
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHY
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BU of 4zhy by Molmil
Crystal structure of a bacterial signalling complex
Descriptor: FORMIC ACID, SULFATE ION, YfiB, ...
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHV
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BU of 4zhv by Molmil
Crystal structure of a bacterial signalling protein
Descriptor: SULFATE ION, YfiB
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.585 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
5A2S
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BU of 5a2s by Molmil
Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors
Descriptor: (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
Authors:Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C.
Deposit date:2015-05-22
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors.
Acs Med.Chem.Lett., 7, 2016

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