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1Y6Q
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BU of 1y6q by Molmil
Cyrstal structure of MTA/AdoHcy nucleosidase complexed with MT-DADMe-ImmA
Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, MTA/SAH nucleosidase
Authors:Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
Deposit date:2004-12-06
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
1Y6R
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BU of 1y6r by Molmil
Crystal structure of MTA/AdoHcy nucleosidase complexed with MT-ImmA.
Descriptor: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, MTA/SAH nucleosidase
Authors:Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
Deposit date:2004-12-06
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
5AHF
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BU of 5ahf by Molmil
Crystal structure of Salmonella enterica HisA D7N with ProFAR
Descriptor: GLYCEROL, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-02-05
Release date:2015-09-02
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
5AHI
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BU of 5ahi by Molmil
Crystal structure of salmonalla enterica HisA mutant D7N with ProFAR
Descriptor: 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-02-06
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structure and Mechanism of Hisa from Salmonella Enterica
To be Published
5AHE
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BU of 5ahe by Molmil
Crystal structure of Salmonella enterica HisA
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-02-05
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
5A5W
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BU of 5a5w by Molmil
Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-06-23
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
1N3I
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BU of 1n3i by Molmil
Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase
Authors:Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L.
Deposit date:2002-10-28
Release date:2003-09-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase
BIOCHEMISTRY, 42, 2003
1NW4
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BU of 1nw4 by Molmil
Crystal Structure of Plasmodium falciparum Purine Nucleoside Phosphorylase in complex with ImmH and Sulfate
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Shi, W, Ting, L.M, Kicska, G.A, Lewandowicz, A, Tyler, P.C, Evans, G.B, Furneaux, R.H, Kim, K, Almo, S.C, Schramm, V.L.
Deposit date:2003-02-05
Release date:2004-03-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plasmodium falciparum Purine Nucleoside Phosphorylase: CRYSTAL STRUCTURES, IMMUCILLIN INHIBITORS, AND DUAL CATALYTIC FUNCTION.
J.Biol.Chem., 279, 2004
1Q1G
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BU of 1q1g by Molmil
Crystal structure of Plasmodium falciparum PNP with 5'-methylthio-immucillin-H
Descriptor: 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Shi, W, Ting, L.M, Kicska, G.A, Lewandowicz, A, Tyler, P.C, Evans, G.B, Furneaux, R.H, Kim, K, Almo, S.C, Schramm, V.L.
Deposit date:2003-07-19
Release date:2004-03-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Plasmodium falciparum Purine Nucleoside Phosphorylase: CRYSTAL STRUCTURES, IMMUCILLIN INHIBITORS, AND DUAL CATALYTIC FUNCTION.
J.Biol.Chem., 279, 2004
4G41
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BU of 4g41 by Molmil
Crystal structure of s-adenosylhomocysteine nucleosidase from streptococcus pyogenes in complex with 5-methylthiotubericidin
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, MTA/SAH nucleosidase
Authors:Ponniah, K, Norris, G.E, Anderson, B.F, Brown, R.L, Tyler, P.C, Evans, G.B, Frohlich, R.
Deposit date:2012-07-15
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of s-adenosylhomocysteine nucleosidase from streptococcus pyogenes in complex with 5-methylthiotubericidin;
TO BE PUBLISHED
4G89
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BU of 4g89 by Molmil
Crystal structure of k. pneumoniae mta/adohcy nucleosidase in complex with fragmented s-adenosyl-l-homocysteine
Descriptor: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Norris, G.E, Brown, R.L, Anderson, B.F, Tyler, P.C, Evans, G.B.
Deposit date:2012-07-23
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of k. pneumoniae mta/adohcy nucleosidase in complex with fragmented s-adenosyl-l-homocysteine
To be Published
4GMH
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BU of 4gmh by Molmil
Crystal structure of staphylococcus aureus 5'-methylthioadenosine/s-adenosylhomocysteine nucleosidase
Descriptor: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ACETATE ION
Authors:Brown, R.L, Anderson, B.F, Norris, G.E, Tyler, P.C, Evans, G.B, Sutherland-Smith, A.J.
Deposit date:2012-08-15
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of staphylococcus aureus 5'-methylthioadenosine/s-adenosylhomocysteine nucleosidase
To be Published
4YML
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BU of 4yml by Molmil
Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A
Descriptor: (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION
Authors:Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tight binding enantiomers of pre-clinical drug candidates.
Bioorg.Med.Chem., 23, 2015
4WKN
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BU of 4wkn by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKO
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BU of 4wko by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKP
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BU of 4wkp by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
1B8N
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BU of 1b8n by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE
Descriptor: 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Fedorov, A.A, Kicska, G.A, Fedorov, E.V, Strokopytov, B.V, Tyler, P.C, Furneaux, R.H, Schramm, V.L, Almo, S.C.
Deposit date:1999-02-02
Release date:1999-02-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atomic dissection of the hydrogen bond network for transition-state analogue binding to purine nucleoside phosphorylase
Biochemistry, 41, 2002
5JPC
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BU of 5jpc by Molmil
Joint X-ray/neutron structure of MTAN complex with Formycin A
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2016-05-03
Release date:2016-11-16
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5KB3
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BU of 5kb3 by Molmil
1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION
Authors:Banco, M.T, Ronning, D.R.
Deposit date:2016-06-02
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4YNB
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BU of 4ynb by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ...
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4YO8
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BU of 4yo8 by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol
Descriptor: Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-11
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
5K1Z
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BU of 5k1z by Molmil
Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2016-05-18
Release date:2016-11-16
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4WKC
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BU of 4wkc by Molmil
Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL
Authors:Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
6XIG
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BU of 6xig by Molmil
X-ray crystal structure of MqnE from Pedobacter heparinus
Descriptor: Aminodeoxyfutalosine synthase, D(-)-TARTARIC ACID, IRON/SULFUR CLUSTER
Authors:Grove, T.L, Bonanno, J.B, Almo, S.C.
Deposit date:2020-06-19
Release date:2020-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020
6XI9
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BU of 6xi9 by Molmil
X-ray crystal structure of MqnE from Pedobacter heparinus in complex with aminofutalosine and methionine
Descriptor: 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine, Aminodeoxyfutalosine synthase, CHLORIDE ION, ...
Authors:Grove, T.L, Bonanno, J.B, Almo, S.C.
Deposit date:2020-06-19
Release date:2020-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020

 

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