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5UME
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BU of 5ume by Molmil
Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae
Descriptor: 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate reductase, ACETIC ACID, ...
Authors:Kim, Y, Mulligan, R, Maltseva, N, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-01-27
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae
To Be Published
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
5X4A
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BU of 5x4a by Molmil
SLL-2-Forssman antigen tetrasaccharides complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Galactose-binding lectin, ...
Authors:Kita, A, Miki, K.
Deposit date:2017-02-11
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of octocoral lectin SLL-2 complexed with Forssman antigen tetrasaccharide.
Glycobiology, 2017
8JYG
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BU of 8jyg by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2023-07-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
3EG4
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BU of 3eg4 by Molmil
Crystal structure of 2,3,4,5-Tetrahydropyridine-2-carboxylate N-Succinyltransferase from Brucella melitensis biovar abortus 2308
Descriptor: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-10
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of 2,3,4,5-Tetrahydropyridine-2-carboxylate N-Succinyltransferase from Brucella melitensis biovar abortus 2308
To be Published
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Yeh, S.-R, Rousseau, D.L.
Deposit date:2023-03-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
5ZZC
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BU of 5zzc by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94A resolution
Descriptor: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
Authors:Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-05-31
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94 A resolution
To Be Published
4PNW
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BU of 4pnw by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
3LX3
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BU of 3lx3 by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS) in complex with xanthopterin
Descriptor: 2-amino-1,5-dihydropteridine-4,6-dione, 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-24
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
6UNC
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BU of 6unc by Molmil
The crystal structure of Phosphopantetheinyl Hydrolase (PptH) from Mycobacterium tuberculosis
Descriptor: FE (III) ION, MANGANESE (II) ION, Metallophos domain-containing protein
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-10-11
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Protein Sci., 29, 2020
6A75
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BU of 6a75 by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
Descriptor: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-07-02
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
To Be Published
3LWJ
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BU of 3lwj by Molmil
Crystal structure of Putative TetR-family transcriptional regulator (YP_752756.1) from Syntrophomonas wolfei str. Goettingen at 2.07 A resolution
Descriptor: 1,2-ETHANEDIOL, Putative TetR-family transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-02-23
Release date:2010-03-16
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of Putative TetR-family transcriptional regulator (YP_752756.1) from Syntrophomonas wolfei str. Goettingen at 2.07 A resolution
To be published
6ZW1
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BU of 6zw1 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
Descriptor: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
Authors:Barinka, C, Motlova, L, Ustinova, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
3QUS
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BU of 3qus by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ATPgS
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Formate--tetrahydrofolate ligase, MALEIC ACID, ...
Authors:Celeste, L.R, Chai, G, Bielak, M, Lovelace, L.L, Lebioda, L.
Deposit date:2011-02-24
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal Strucutre of N10-Formyltetrahydrofolate Synthetase with ATPgS
To be Published
6O8M
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BU of 6o8m by Molmil
Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide).
Descriptor: N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6A7D
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BU of 6a7d by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution
Descriptor: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-07-02
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution
To Be Published
8PCX
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BU of 8pcx by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with tetramannuronic acid
Descriptor: Alginate lyase, CHLORIDE ION, beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, ...
Authors:Wilknes, C.
Deposit date:2023-06-11
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with tetramannuronic acid
To Be Published
5IFF
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BU of 5iff by Molmil
Crystal structure of R.PabI-nonspecific DNA complex
Descriptor: DNA (5'-D(*GP*CP*AP*CP*TP*AP*GP*TP*TP*CP*GP*AP*AP*CP*TP*AP*GP*TP*GP*C)-3'), Uncharacterized protein
Authors:Wang, D, Miyazono, K, Tanokura, M.
Deposit date:2016-02-26
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tetrameric structure of the restriction DNA glycosylase R.PabI in complex with nonspecific double-stranded DNA.
Sci Rep, 6, 2016
6A6D
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BU of 6a6d by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution
Descriptor: DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ...
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-06-27
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution
To Be Published
3V9D
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BU of 3v9d by Molmil
Crystal structure of the tetra-decanucleotide d(CCCCGGTACCGGGG)2 as an A-DNA duplex
Descriptor: DNA (5'-D(*CP*CP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*GP*G)-3'), MANGANESE (II) ION
Authors:Mandal, P.K, Venkadesh, S, Gautham, N.
Deposit date:2011-12-26
Release date:2012-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the tetradecanucleotide d(CCCCGGTACCGGGG)2 as an A-DNA duplex
Acta Crystallogr.,Sect.F, 68, 2012
2ROX
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BU of 2rox by Molmil
TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH THYROXINE (T4)
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, SULFATE ION, TRANSTHYRETIN
Authors:Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W.
Deposit date:1996-10-23
Release date:1997-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
3CJ8
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BU of 3cj8 by Molmil
Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Enterococcus faecalis V583
Descriptor: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase, ACETATE ION, CHLORIDE ION, ...
Authors:Tan, K, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-12
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Enterococcus faecalis V583.
To be Published
5M1L
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BU of 5m1l by Molmil
Structure of DNA AGCGA-quadruplex adopted by 15-mer d(GCGAGGGAGCGAGGG), VK34, oligonucleotide found in regulatory region of the PLEKHG3 human gene
Descriptor: DNA (5'-D(*GP*CP*GP*AP*GP*GP*GP*AP*GP*CP*GP*AP*GP*GP*G)-3')
Authors:Kocman, V, Plavec, J.
Deposit date:2016-10-09
Release date:2017-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tetrahelical structural family adopted by AGCGA-rich regulatory DNA regions.
Nat Commun, 8, 2017
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022

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数据于2024-07-10公开中

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