6DZ2
| Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
|
|
5TC5
| Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2016-09-14 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | TBA To be published
|
|
5TC8
| Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex 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, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2016-09-14 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | TBA To be published
|
|
5TC6
| Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-A | Descriptor: | (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2016-09-14 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | TBA To be published
|
|
5TC7
| Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 5'-methylthiotubercidin at 1.75 angstrom | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2016-09-14 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | TBA To be published
|
|
1Q1G
| 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
|
|
1NW4
| 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
|
|
6URY
| Crystal structure of ricin A chain in complex with inhibitor 9-oxo-4-fluorenecarboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-oxo-9H-fluorene-4-carboxamide, CHLORIDE ION, ... | Authors: | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes. Acs Infect Dis., 6, 2020
|
|
6URX
| Crystal structure of ricin A chain in complex with inhibitor 5-phenyl-2-thiophenecarboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-phenylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes. Acs Infect Dis., 6, 2020
|
|
6URW
| Crystal structure of ricin A chain in complex with inhibitor 4-(2-thienylmethyl)benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[(thiophen-2-yl)methyl]benzoic acid, DIMETHYL SULFOXIDE, ... | Authors: | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes. Acs Infect Dis., 6, 2020
|
|
6WS1
| Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH) | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | Authors: | Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2020-04-30 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Transition-State Analogues of PhenylethanolamineN-Methyltransferase. J.Am.Chem.Soc., 142, 2020
|
|
1BZY
| HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR | Descriptor: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER, ... | Authors: | Shi, W, Li, C, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | Deposit date: | 1998-11-05 | Release date: | 1999-06-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0 A structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with a transition-state analog inhibitor. Nat.Struct.Biol., 6, 1999
|
|
1B8N
| 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
|
|
1DQP
| CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, GUANINE PHOSPHORIBOSYLTRANSFERASE, ISOPROPYL ALCOHOL | Authors: | Shi, W, Munagala, N.R, Wang, C.C, Li, C.M, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | Deposit date: | 2000-01-04 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,). Biochemistry, 39, 2000
|
|
1DQN
| CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION STATE ANALOGUE | Descriptor: | GUANINE PHOSPHORIBOSYLTRANSFERASE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Shi, W, Munagala, N.R, Wang, C.C, Li, C.M, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | Deposit date: | 2000-01-04 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,). Biochemistry, 39, 2000
|
|
1CJB
| MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE | Descriptor: | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, MAGNESIUM ION, PROTEIN (HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE), ... | Authors: | Shi, W, Li, C.M, Tyler, P.C, Furneaux, R.H, Cahill, S.M, Girvin, M.E, Grubmeyer, C, Schramm, V.L, Almo, S.C. | Deposit date: | 1999-04-08 | Release date: | 1999-08-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0 A structure of malarial purine phosphoribosyltransferase in complex with a transition-state analogue inhibitor. Biochemistry, 38, 1999
|
|
6AQU
| Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase: The M183L mutant | Descriptor: | PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-08-21 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Genetic resistance to purine nucleoside phosphorylase inhibition inPlasmodium falciparum. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6AYO
| Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 5'-deoxy-5'-Propyl-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|
6AYM
| Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|
6AYS
| Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|
1ZOS
| Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase | Authors: | Shi, W, Singh, V, Zhen, R, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2005-05-13 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae. Biochemistry, 45, 2006
|
|
1Y6Q
| 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
|
|
6AYR
| Crystal structure of Campylobacter jejuni 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, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|
6AYQ
| Crystal structure of Campylobacter jejuni 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, GLYCEROL | Authors: | Cameron, S.A, Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|
6AYT
| Crystal structure of Campylobacter jejuni 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, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
|
|