3D4P
 
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3EWD
 | | Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin | | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | | Deposit date: | 2008-10-14 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Biochemistry, 48, 2009
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3EWC
 | | Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin | | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | | Deposit date: | 2008-10-14 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Biochemistry, 48, 2009
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1MAS
 | | PURINE NUCLEOSIDE HYDROLASE | | Descriptor: | INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION | | Authors: | Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C. | | Deposit date: | 1995-12-18 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata.
Biochemistry, 35, 1996
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4WKB
 | | Crystal structure of Vibrio cholerae 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, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | 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 (1.37 Å) | | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
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3LOO
 | | Crystal structure of Anopheles gambiae adenosine kinase in complex with P1,P4-di(adenosine-5) tetraphosphate | | Descriptor: | Anopheles gambiae adenosine kinase, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ... | | Authors: | Ho, M.-C, Cassera, M.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2010-02-04 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A High-Affinity Adenosine Kinase from Anopheles gambiae.
Biochemistry, 50, 2011
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3D0O
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4GKA
 | | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with phosphate | | Descriptor: | GLYCEROL, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Haapalainen, A.M, Ho, M.C, Suarez, J.J, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-08-10 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic Site Conformations in Human PNP by (19)F-NMR and Crystallography.
Chem.Biol., 20, 2013
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7RXV
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine, Malonate (MLA) and MgF3 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, GLYCEROL, ... | | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
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7RXW
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP) | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, ... | | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
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7RXX
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
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1N3I
 | | 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
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7TUX
 | | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, ... | | Authors: | Harijan, R.K, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2022-02-03 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase.
Acs Chem.Biol., 17, 2022
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7TWU
 | | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH) | | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023
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7TX2
 | | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid | | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, Phenylethanolamine N-methyltransferase | | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023
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3K8O
 | | Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-ImmH | | Descriptor: | 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Ho, M, Rinaldo-matthis, A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2009-10-14 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-Immucillin H
Proc.Natl.Acad.Sci.USA, 2010
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5ETJ
 | | Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate | | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Cameron, S.A, Suarez, J, Schramm, V.L, Almo, S.C. | | Deposit date: | 2015-11-17 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics.
J.Am.Chem.Soc., 138, 2016
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3BGS
 | | Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate | | 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: | Murkin, A.S, Ramagopal, U.A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2007-11-27 | | Release date: | 2008-01-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase
J.Am.Chem.Soc., 130, 2008
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3D4B
 | | Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+ | | Descriptor: | 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ... | | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | | Deposit date: | 2008-05-14 | | Release date: | 2008-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
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3D81
 | | Sir2-S-alkylamidate complex crystal structure | | Descriptor: | NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION | | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
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2ISC
 | | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2006-10-17 | | Release date: | 2007-06-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues
Biochemistry, 46, 2007
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2I4T
 | | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A | | Descriptor: | 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase | | Authors: | Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C. | | Deposit date: | 2006-08-22 | | Release date: | 2007-06-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues.
Biochemistry, 46, 2007
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5EUB
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate | | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol, CHLORIDE ION, GLYCEROL, ... | | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | | Deposit date: | 2015-11-18 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate
To be published
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1K27
 | | Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition State Analogue | | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-Deoxy-5'-Methylthioadenosine Phosphorylase, PHOSPHATE ION | | Authors: | Shi, W, Singh, V, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | | Deposit date: | 2001-09-26 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Picomolar transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase and X-ray structure with MT-immucillin-A
Biochemistry, 43, 2004
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4JOS
 | | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) | | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ... | | Authors: | Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-18 | | Release date: | 2013-04-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
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