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3B9X
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BU of 3b9x by Molmil
Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK in complex with inosine
Descriptor: CALCIUM ION, INOSINE, Pyrimidine-specific ribonucleoside hydrolase rihB, ...
Authors:Iovane, E, Degano, M.
Deposit date:2007-11-07
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for substrate specificity in group I nucleoside hydrolases
Biochemistry, 47, 2008
4DHF
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BU of 4dhf by Molmil
Structure of Aurora A mutant bound to Biogenidec cpd 15
Descriptor: 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ...
Authors:Silvian, L, Marcotte, D.J.
Deposit date:2012-01-27
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1UOW
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BU of 1uow by Molmil
Calcium binding domain C2B
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
Deposit date:2003-09-24
Release date:2004-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
1UOV
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BU of 1uov by Molmil
Calcium binding domain C2B
Descriptor: CALCIUM ION, GLYCEROL, SYNAPTOTAGMIN I
Authors:Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
Deposit date:2003-09-24
Release date:2004-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
3CQ5
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BU of 3cq5 by Molmil
Histidinol-phosphate aminotransferase from Corynebacterium glutamicum in complex with PMP
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Histidinol-phosphate aminotransferase, SULFATE ION, ...
Authors:Sandalova, T, Marienhagen, J, Schneider, G.
Deposit date:2008-04-02
Release date:2008-07-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the structural basis of substrate recognition by histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Acta Crystallogr.,Sect.D, 64, 2008
3CQ4
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BU of 3cq4 by Molmil
Histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Descriptor: ACETATE ION, Histidinol-phosphate aminotransferase
Authors:Sandalova, T, Marienhagen, J, Schneider, G.
Deposit date:2008-04-02
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the structural basis of substrate recognition by histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Acta Crystallogr.,Sect.D, 64, 2008
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
Descriptor: HET-C2
Authors:Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
Deposit date:2009-11-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
3CQ6
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BU of 3cq6 by Molmil
Histidinol-phosphate aminotransferase from Corynebacterium glutamicum holo-form (PLP covalently bound )
Descriptor: Histidinol-phosphate aminotransferase, PHOSPHATE ION
Authors:Sandalova, T, Marienhagen, J, Schneider, G.
Deposit date:2008-04-02
Release date:2008-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the structural basis of substrate recognition by histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Acta Crystallogr.,Sect.D, 64, 2008
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
8PTI
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BU of 8pti by Molmil
CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1990-12-17
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
4FDO
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BU of 4fdo by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT319
Descriptor: 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
8VAO
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BU of 8vao by Molmil
Simulation-driven design of prefusion stabilized SARS-CoV-2 spike S2 antigen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2
Authors:Zhou, L, McLellan, J.S.
Deposit date:2023-12-11
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens
To Be Published
4FDP
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BU of 4fdp by Molmil
Mycobacterium tuberculosis DprE1 - monoclinic crystal form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FDN
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BU of 4fdn by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
Descriptor: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
1Y26
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BU of 1y26 by Molmil
A-riboswitch-adenine complex
Descriptor: ADENINE, MAGNESIUM ION, Vibrio vulnificus A-riboswitch
Authors:Serganov, A, Yuan, Y.R, Patel, D.J.
Deposit date:2004-11-20
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
1Y27
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BU of 1y27 by Molmil
G-riboswitch-guanine complex
Descriptor: Bacillus subtilis xpt, GUANINE
Authors:Serganov, A, Yuan, Y.R, Patel, D.J.
Deposit date:2004-11-20
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
8BIG
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BU of 8big by Molmil
O-Methyltransferase Plu4895 in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGT
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BU of 8bgt by Molmil
O-Methyltransferase Plu4890 in complex with SAM
Descriptor: GLYCEROL, Methyltransferase Plu4890, S-ADENOSYLMETHIONINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BGY
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BU of 8bgy by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284a
Descriptor: 1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BH0
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BU of 8bh0 by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270b
Descriptor: 3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BII
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BU of 8bii by Molmil
O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4895 H229N mutant
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIB
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BU of 8bib by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIJ
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BU of 8bij by Molmil
O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIE
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BU of 8bie by Molmil
O-Methyltransferase Plu4894 in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4894
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023

223790

數據於2024-08-14公開中

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