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4YF5
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BU of 4yf5 by Molmil
Crystal structure of Rv1284 in the presence of polycarpine at acidic pH
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, ZINC ION
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
4YF6
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BU of 4yf6 by Molmil
Crystal structure of oxidised Rv1284
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
4YF4
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BU of 4yf4 by Molmil
Crystal structure of Rv1284 in the presence of polycarpine at mildly acidic pH
Descriptor: Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hofmann, A.
Deposit date:2015-02-25
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
4B7X
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BU of 4b7x by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE
Authors:Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H.
Deposit date:2012-08-24
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 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
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
4EZH
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BU of 4ezh by Molmil
the crystal structure of KDM6B bound with H3K27me3 peptide
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-02
Release date:2012-08-08
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
Authors:Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
Deposit date:2010-10-19
Release date:2011-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4EZ4
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BU of 4ez4 by Molmil
free KDM6B structure
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-02
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
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
4EYU
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BU of 4eyu by Molmil
The free structure of the mouse C-terminal domain of KDM6B
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-01
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
6J07
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BU of 6j07 by Molmil
Crystal structure of human TERB2 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION
Authors:Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6J08
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BU of 6j08 by Molmil
Crystal structure of human MAJIN and TERB2
Descriptor: Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
Authors:Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
4QUT
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BU of 4qut by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-12
Release date:2014-07-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
4QUU
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BU of 4quu by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-12
Release date:2014-07-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
7W8N
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BU of 7w8n by Molmil
Microbial Hormone-sensitive lipase E53 wild type
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2021-12-08
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
7CI0
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BU of 7ci0 by Molmil
Microbial Hormone-sensitive lipase E53 mutant S162A
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
7CIH
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BU of 7cih by Molmil
Microbial Hormone-sensitive lipase E53 mutant S285G
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-07
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
Deposit date:2007-10-02
Release date:2008-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6Q2W
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BU of 6q2w by Molmil
Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist
Descriptor: (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L.
Deposit date:2018-12-03
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5U1R
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BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-11-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U16
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BU of 5u16 by Molmil
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
Descriptor: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
Deposit date:2016-11-27
Release date:2017-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017

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