1ZVM
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![BU of 1zvm by Molmil](/molmil-images/mine/1zvm) | Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase | Descriptor: | ADP-ribosyl cyclase 1, SULFATE ION | Authors: | Shi, W, Yang, T, Almo, S.C, Schramm, V.L, Sauve, A. | Deposit date: | 2005-06-02 | Release date: | 2006-06-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human CD38: Cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase To be Published
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2A0W
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![BU of 2a0w by Molmil](/molmil-images/mine/2a0w) | Structure of human purine nucleoside phosphorylase H257G mutant | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | Deposit date: | 2005-06-17 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase. Biochemistry, 46, 2007
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2A0X
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![BU of 2a0x by Molmil](/molmil-images/mine/2a0x) | Structure of human purine nucleoside phosphorylase H257F mutant | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | Deposit date: | 2005-06-17 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase. Biochemistry, 46, 2007
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1RSZ
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![BU of 1rsz by Molmil](/molmil-images/mine/1rsz) | Structure of human purine nucleoside phosphorylase in complex with DADMe-Immucillin-H and sulfate | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Shi, W, Lewandowicz, A, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2003-12-10 | Release date: | 2005-02-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural comparison of human and malarial purine nucleoside phosphorylases To be Published
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6URY
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![BU of 6ury by Molmil](/molmil-images/mine/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
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6URX
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![BU of 6urx by Molmil](/molmil-images/mine/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
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6URW
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![BU of 6urw by Molmil](/molmil-images/mine/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
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6WS1
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![BU of 6ws1 by Molmil](/molmil-images/mine/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
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3H3J
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![BU of 3h3j by Molmil](/molmil-images/mine/3h3j) | |
3HIQ
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![BU of 3hiq by Molmil](/molmil-images/mine/3hiq) | |
3HIV
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![BU of 3hiv by Molmil](/molmil-images/mine/3hiv) | Crystal structure of Saporin-L1 in complex with the trinucleotide inhibitor, a transition state analogue | Descriptor: | (2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate, Vacuolar saporin | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HIT
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![BU of 3hit by Molmil](/molmil-images/mine/3hit) | Crystal structure of Saporin-L1 in complex with the dinucleotide inhibitor, a transition state analogue | Descriptor: | 5'-O-[(S)-{[(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(S)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-O-[(R)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-O-methylguanosine, Vacuolar saporin | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HIO
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![BU of 3hio by Molmil](/molmil-images/mine/3hio) | Crystal structure of Ricin A-chain in complex with the cyclic tetranucleotide inhibitor, a transition state analogue | Descriptor: | 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Ricin, SULFATE ION | Authors: | Ho, M, Sturm, M.B, Goldman, J.D, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HIW
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![BU of 3hiw by Molmil](/molmil-images/mine/3hiw) | Crystal structure of Saporin-L1 in complex with the cyclic tetranucleotide inhibitor, a transition state analogue | Descriptor: | 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Vacuolar saporin | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HIS
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![BU of 3his by Molmil](/molmil-images/mine/3his) | |
3K8O
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![BU of 3k8o by Molmil](/molmil-images/mine/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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3D4B
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![BU of 3d4b by Molmil](/molmil-images/mine/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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3DGR
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![BU of 3dgr by Molmil](/molmil-images/mine/3dgr) | Crystal structure of human NAMPT complexed with ADP analogue | Descriptor: | Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-15 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DHF
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![BU of 3dhf by Molmil](/molmil-images/mine/3dhf) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | Descriptor: | BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-17 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3D0O
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![BU of 3d0o by Molmil](/molmil-images/mine/3d0o) | |
3D81
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![BU of 3d81 by Molmil](/molmil-images/mine/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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3DHD
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![BU of 3dhd by Molmil](/molmil-images/mine/3dhd) | Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-17 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DKL
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![BU of 3dkl by Molmil](/molmil-images/mine/3dkl) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-25 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DKJ
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![BU of 3dkj by Molmil](/molmil-images/mine/3dkj) | Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-25 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3EEI
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![BU of 3eei by Molmil](/molmil-images/mine/3eei) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase | Authors: | Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-09-04 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A To be Published
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