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4XZB
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BU of 4xzb by Molmil
endo-glucanase GsCelA P1
Descriptor: CelA
Authors:Lee, C.C, Chang, C.J, Ho, T.H.D, Chao, Y.C, Wang, A.H.J.
Deposit date:2015-02-04
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of endo-glucanase GsCelA P1 at 1.62 Angstroms
To Be Published
4XZW
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BU of 4xzw by Molmil
Endo-glucanase chimera C10
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Lee, C.C, Chang, C.J, Ho, T.H.D, Chao, Y.C, Wang, A.H.J.
Deposit date:2015-02-05
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Endo-glucanase chimera C10
To Be Published
8SWA
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BU of 8swa by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with SAM and PPNP
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Bruemmer, K.J, Pham, V.N, Toh, J.D.W.
Deposit date:2023-05-18
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Formaldehyde regulates S -adenosylmethionine biosynthesis and one-carbon metabolism.
Science, 382, 2023
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-05-06
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
2O7N
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BU of 2o7n by Molmil
CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
Descriptor: 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L
Authors:Sheriff, S.
Deposit date:2006-12-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
4NFM
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BU of 4nfm by Molmil
Human tau tubulin kinase 1 (TTBK1)
Descriptor: GLYCEROL, Tau-tubulin kinase 1
Authors:Sheriff, S.
Deposit date:2013-10-31
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NFN
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BU of 4nfn by Molmil
Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
Descriptor: 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1
Authors:Sheriff, S.
Deposit date:2013-10-31
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014

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