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6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-08
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
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
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
5FD6
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BU of 5fd6 by Molmil
zinc-bound manganese uptake regulator
Descriptor: Ferric uptake regulation protein, GLYCEROL, SULFATE ION, ...
Authors:Bellini, D, Hemmings, A.M, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:structure of a zinc-bound manganese uptake regulator, mur
To Be Published
4CNT
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BU of 4cnt by Molmil
CRYSTAL STRUCTURE OF WT HUMAN CRMP-4
Descriptor: 1,2-ETHANEDIOL, DIHYDROPYRIMIDINASE-LIKE 3, SODIUM ION
Authors:Ponnusamy, R, Lohkamp, B.
Deposit date:2014-01-24
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder
Acta Crystallogr.,Sect.D, 70, 2014
4CNS
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BU of 4cns by Molmil
Crystal structure of truncated human CRMP-4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ponnusamy, R, Lohkamp, B.
Deposit date:2014-01-24
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder
Acta Crystallogr.,Sect.D, 70, 2014
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
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:2011-07-13
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
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
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
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
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
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
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:2018-04-04
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:2018-04-04
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:2018-04-04
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

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