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3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3THS
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BU of 3ths by Molmil
Crystal structure of rat native liver Glycine N-methyltransferase complexed with 5-methyltetrahydrofolate pentaglutamate
Descriptor: 5-methyltetrahydrofolate pentaglutamate, BETA-MERCAPTOETHANOL, Glycine N-methyltransferase, ...
Authors:Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C.
Deposit date:2011-08-19
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Differences in folate-protein interactions result in differing inhibition of native rat liver and recombinant glycine N-methyltransferase by 5-methyltetrahydrofolate.
Biochim.Biophys.Acta, 1824, 2011
1XBX
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BU of 1xbx by Molmil
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound D-ribulose 5-phosphate
Descriptor: 3-keto-L-gulonate 6-phosphate decarboxylase, 5-O-phosphono-L-ribulose, MAGNESIUM ION, ...
Authors:Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I.
Deposit date:2004-08-31
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
3TSD
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BU of 3tsd by Molmil
Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP
Descriptor: D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ...
Authors:Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-09-13
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
1DMJ
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BU of 1dmj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
Descriptor: 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
4H2F
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BU of 4h2f by Molmil
Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine
Descriptor: 5'-nucleotidase, ADENOSINE, CALCIUM ION, ...
Authors:Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J.
Deposit date:2012-09-12
Release date:2012-11-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
1RC4
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BU of 1rc4 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-25
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1J59
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BU of 1j59 by Molmil
CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Descriptor: 5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
Authors:Parkinson, G, Wilson, C, Gunasekera, A, Ebright, Y.W, Ebright, R.H, Berman, H.M.
Deposit date:2002-03-01
Release date:2002-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the CAP-DNA complex at 2.5 angstroms resolution: a complete picture of the protein-DNA interface.
J.Mol.Biol., 260, 1996
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
1RX6
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BU of 1rx6 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
4H2G
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BU of 4h2g by Molmil
Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine
Descriptor: 5'-nucleotidase, ADENOSINE, CALCIUM ION, ...
Authors:Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J.
Deposit date:2012-09-12
Release date:2012-11-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
7X5H
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BU of 7x5h by Molmil
Serotonin 5A (5-HT5A) receptor-Gi protein complex
Descriptor: 3-(2-azanylethyl)-1H-indole-5-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tan, Y, Xu, P, Huang, S, Xu, H.E, Jiang, Y.
Deposit date:2022-03-04
Release date:2022-09-14
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the ligand binding and G i coupling of serotonin receptor 5-HT 5A .
Cell Discov, 8, 2022
3WYL
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BU of 3wyl by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Descriptor: 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
2JCB
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BU of 2jcb by Molmil
The crystal structure of 5-formyl-tetrahydrofolate cycloligase from Bacillus anthracis (BA4489)
Descriptor: 5-FORMYLTETRAHYDROFOLATE CYCLO-LIGASE FAMILY PROTEIN, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Meier, C, Carter, L.G, Winter, G, Owens, R.J, Stuart, D.I, Esnouf, R.M, Oxford Protein Production Facility (OPPF), Structural Proteomics in Europe (SPINE)
Deposit date:2006-12-21
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of 5-Formyltetrahydrofolate Cyclo-Ligase from Bacillus Anthracis (Ba4489).
Acta Crystallogr.,Sect.F, 63, 2007
1RMX
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BU of 1rmx by Molmil
A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE
Descriptor: 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
Authors:Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D.
Deposit date:2003-11-28
Release date:2004-08-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
1RX4
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BU of 1rx4 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
4KGC
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BU of 4kgc by Molmil
Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM
Descriptor: (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ...
Authors:Adhireksan, Z, Davey, C.A.
Deposit date:2013-04-29
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
4LBP
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BU of 4lbp by Molmil
5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG) from Burkholderia phenoliruptrix AC1100: Complex with 2,5-dihydroxybenzoquinone
Descriptor: 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione, 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG)
Authors:Hayes, R.P, Lewis, K.M, Xun, L, Kang, C.
Deposit date:2013-06-20
Release date:2013-08-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Catalytic Mechanism of 5-Chlorohydroxyhydroquinone Dehydrochlorinase from the YCII Superfamily of Largely Unknown Function.
J.Biol.Chem., 288, 2013
2PAQ
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BU of 2paq by Molmil
Crystal structure of the 5'-deoxynucleotidase YfbR
Descriptor: 5'-deoxynucleotidase YfbR
Authors:Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-03-27
Release date:2007-04-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
2QTG
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BU of 2qtg by Molmil
Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin
Descriptor: 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase
Authors:Siu, K.K.W, Howell, P.L.
Deposit date:2007-08-02
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
J.Mol.Biol., 378, 2008
4GJU
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BU of 4gju by Molmil
5-Methylcytosine modified DNA oligomer
Descriptor: 5-Methylcytosine modified DNA oligomer, MAGNESIUM ION
Authors:Spingler, B, Renciuk, D, Vorlickova, M.
Deposit date:2012-08-10
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
1H7P
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BU of 1h7p by Molmil
SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH 4-KETO-5-AMINO-HEXANOIC (KAH) AT 1.64 A RESOLUTION
Descriptor: 5-AMINO-4-HYDROXYHEXANOIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION
Authors:Erskine, P.T, Newbold, R, Brindley, A.A, Wood, S.P, Shoolingin-Jordan, P.M, Warren, M.J, Cooper, J.B.
Deposit date:2001-07-09
Release date:2001-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Substrate and Three Inhibitors
J.Mol.Biol., 312, 2001
6IJJ
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BU of 6ijj by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
6IJO
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BU of 6ijo by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
2HNC
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BU of 2hnc by Molmil
Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Descriptor: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Menchise, V, Di Fiore, A, De Simone, G.
Deposit date:2006-07-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006

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