3O63
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![BU of 3o63 by Molmil](/molmil-images/mine/3o63) | Crystal Structure of Thiamin Phosphate Synthase from Mycobacterium tuberculosis | Descriptor: | PHOSPHATE ION, Probable thiamine-phosphate pyrophosphorylase | Authors: | McCulloch, K.M, Ramamoorthy, D, Ishida, K, Guida, W.C, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-07-28 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure and Identification of Potential Inhibitor Compounds for Mycobacterium tuberculosis Thiamin Phosphate Synthase to be published
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3DZ2
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![BU of 3dz2 by Molmil](/molmil-images/mine/3dz2) | Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3DZ6
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![BU of 3dz6 by Molmil](/molmil-images/mine/3dz6) | Human AdoMetDC with 5'-[(4-aminooxybutyl)methylamino]-5'deoxy-8-ethyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3DZ3
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![BU of 3dz3 by Molmil](/molmil-images/mine/3dz3) | Human AdoMetDC F223A mutant with covalently bound S-Adenosylmethionine methyl ester | Descriptor: | 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3DZ5
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![BU of 3dz5 by Molmil](/molmil-images/mine/3dz5) | Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3DZ4
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![BU of 3dz4 by Molmil](/molmil-images/mine/3dz4) | Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3DZ7
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![BU of 3dz7 by Molmil](/molmil-images/mine/3dz7) | Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3H0V
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![BU of 3h0v by Molmil](/molmil-images/mine/3h0v) | Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, PYRUVIC ACID, ... | Authors: | Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E. | Deposit date: | 2009-04-10 | Release date: | 2009-06-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase. Biochemistry, 48, 2009
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3H0W
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![BU of 3h0w by Molmil](/molmil-images/mine/3h0w) | Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ... | Authors: | Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E. | Deposit date: | 2009-04-10 | Release date: | 2009-06-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase. Biochemistry, 48, 2009
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1RCT
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![BU of 1rct by Molmil](/molmil-images/mine/1rct) | Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE | Descriptor: | INOSINE, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Canduri, F, dos Santos, D.M, Silva, R.G, Mendes, M.A, Palma, M.S, de Azevedo Jr, W.F, Basso, L.A, Santos, D.S. | Deposit date: | 2003-11-04 | Release date: | 2004-01-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of human purine nucleoside phosphorylase complexed with inosine and ddI Biochem.Biophys.Res.Commun., 313, 2004
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1ULA
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![BU of 1ula by Molmil](/molmil-images/mine/1ula) | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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1ULB
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![BU of 1ulb by Molmil](/molmil-images/mine/1ulb) | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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3TV7
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![BU of 3tv7 by Molmil](/molmil-images/mine/3tv7) | Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-09-19 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2). Medchemcomm, 3, 2012
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3V8S
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![BU of 3v8s by Molmil](/molmil-images/mine/3v8s) | |
1M73
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![BU of 1m73 by Molmil](/molmil-images/mine/1m73) | CRYSTAL STRUCTURE OF HUMAN PNP AT 2.3A RESOLUTION | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | De Azevedo Jr, W.F, Marangoni Dos Santos, D, Canduri, F, Santos, G.C, Olivieri, J.R, Silva, R.G, Basso, L.A, Palma, M.S, Santos, D.S. | Deposit date: | 2002-07-18 | Release date: | 2003-09-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human purine nucleoside phosphorylase at 2.3A resolution. Biochem.Biophys.Res.Commun., 308, 2003
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1PWY
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![BU of 1pwy by Molmil](/molmil-images/mine/1pwy) | CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Dos Santos, D.M, Canduri, F, Pereira, J.H, Vinicius Bertacine Dias, M, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, De Azevedo, W.F, Santos, D.S. | Deposit date: | 2003-07-02 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir. Biochem.Biophys.Res.Commun., 308, 2003
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