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8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
Descriptor: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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BU of 8dyf by Molmil
IL17A homodimer bound to Compound 10
Descriptor: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
Descriptor: Cilia- and flagella-associated protein 299, ZINC ION
Authors:Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:cilia and flagella associated protein 299
To Be Published
2GA2
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BU of 2ga2 by Molmil
h-MetAP2 complexed with A193400
Descriptor: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Park, C.
Deposit date:2006-03-07
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5UPF
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BU of 5upf by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53
Descriptor: 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
3OHN
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BU of 3ohn by Molmil
Crystal structure of the FimD translocation domain
Descriptor: Outer membrane usher protein FimD
Authors:Wang, T, Li, H.
Deposit date:2010-08-17
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate.
Nature, 474, 2011
2M5Y
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BU of 2m5y by Molmil
Solution Structure of the C-terminal domain of RV0431
Descriptor: Putative tuberculin related peptide
Authors:Huang, C, Wang, T, Li, H.
Deposit date:2013-03-13
Release date:2014-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Genetic regulation of vesiculogenesis and immunomodulation in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7K09
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BU of 7k09 by Molmil
Puromycin N-acetyltransferase in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Puromycin N-acetyltransferase
Authors:Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S.
Deposit date:2020-09-03
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
7K0A
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BU of 7k0a by Molmil
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
Descriptor: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Caputo, A.T, Newman, J, Adams, T.E.
Deposit date:2020-09-03
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
4GOH
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BU of 4goh by Molmil
Structure of the substrate-free HmuO, HO from Corynebacterium diphtheriae
Descriptor: GLYCEROL, Heme oxygenase, SODIUM ION
Authors:Unno, M, Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPF
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BU of 4gpf by Molmil
Structure of the Fe3+-biliverdin-HmuO, heme oxygenase from Corynebacterium diphtheriae (data set III)
Descriptor: BILIVERDINE IX ALPHA, FE (III) ION, Heme oxygenase, ...
Authors:Unno, M, Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPH
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BU of 4gph by Molmil
Structure of HmuO, heme oxygenase from Corynebacterium diphtheriae, in complex with the putative reaction intermediates between Fe3+-biliverdin and biliverdin (data set IV)
Descriptor: ASCORBIC ACID, BILIVERDINE IX ALPHA, FE (III) ION, ...
Authors:Unno, M, Ikeda-Saito, M.
Deposit date:2012-08-21
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPC
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BU of 4gpc by Molmil
Structure of the biliverdin-HmuO, heme oxygenase from Corynebacterium diphtheriae
Descriptor: ASCORBIC ACID, BILIVERDINE IX ALPHA, Heme oxygenase, ...
Authors:Unno, M, Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
5N0L
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BU of 5n0l by Molmil
The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
Authors:Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Plos One, 14, 2019

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