1T9A
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![BU of 1t9a by Molmil](/molmil-images/mine/1t9a) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl | Descriptor: | 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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6OFD
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![BU of 6ofd by Molmil](/molmil-images/mine/6ofd) | The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W. | Deposit date: | 2019-03-29 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. Eur.J.Med.Chem., 182, 2019
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8UAR
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![BU of 8uar by Molmil](/molmil-images/mine/8uar) | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | Descriptor: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAT
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![BU of 8uat by Molmil](/molmil-images/mine/8uat) | Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex | Descriptor: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAS
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![BU of 8uas by Molmil](/molmil-images/mine/8uas) | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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3FR8
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![BU of 3fr8 by Molmil](/molmil-images/mine/3fr8) | rice Ketolacid reductoisomerase in complex with Mg2+-NADPH | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Leung, E.W.W, Guddat, L.W. | Deposit date: | 2009-01-08 | Release date: | 2009-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational changes in a plant ketol-acid reductoisomerase upon Mg(2+) and NADPH binding as revealed by two crystal structures J.Mol.Biol., 389, 2009
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1YHZ
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![BU of 1yhz by Molmil](/molmil-images/mine/1yhz) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Chlorsulfuron | Descriptor: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-01-10 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1Z8N
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![BU of 1z8n by Molmil](/molmil-images/mine/1z8n) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With An Imidazolinone Herbicide, Imazaquin | Descriptor: | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-03-31 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1YI0
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![BU of 1yi0 by Molmil](/molmil-images/mine/1yi0) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-01-10 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1YI1
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![BU of 1yi1 by Molmil](/molmil-images/mine/1yi1) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Tribenuron methyl | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-01-10 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1YRL
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![BU of 1yrl by Molmil](/molmil-images/mine/1yrl) | Escherichia coli ketol-acid reductoisomerase | Descriptor: | Ketol-acid reductoisomerase, SULFATE ION | Authors: | Tyagi, R, Duquerroy, S, Navaza, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-02-04 | Release date: | 2005-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of a bacterial class II ketol-acid reductoisomerase: domain conservation and evolution Protein Sci., 14, 2005
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1XZW
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![BU of 1xzw by Molmil](/molmil-images/mine/1xzw) | Sweet potato purple acid phosphatase/phosphate complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ... | Authors: | Schenk, G, Carrington, L.E, Gahan, L.R, Hamilton, S.E, de Jersey, J, Guddat, L.W. | Deposit date: | 2004-11-12 | Release date: | 2004-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase Proc.Natl.Acad.Sci.USA, 102, 2005
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1Z7G
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![BU of 1z7g by Molmil](/molmil-images/mine/1z7g) | Free human HGPRT | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase | Authors: | Keough, D.T, Brereton, I.M, de Jersey, J, Guddat, L.W. | Deposit date: | 2005-03-24 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of Free Human Hypoxanthine-guanine Phosphoribosyltransferase Reveals Extensive Conformational Plasticity Throughout the Catalytic Cycle J.Mol.Biol., 351, 2005
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1YHY
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![BU of 1yhy by Molmil](/molmil-images/mine/1yhy) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-01-10 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1YBH
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![BU of 1ybh by Molmil](/molmil-images/mine/1ybh) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide Chlorimuron Ethyl | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-12-20 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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4RAB
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![BU of 4rab by Molmil](/molmil-images/mine/4rab) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.264 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAQ
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![BU of 4raq by Molmil](/molmil-images/mine/4raq) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAD
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![BU of 4rad by Molmil](/molmil-images/mine/4rad) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAO
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![BU of 4rao by Molmil](/molmil-images/mine/4rao) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.871 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAC
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![BU of 4rac by Molmil](/molmil-images/mine/4rac) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAN
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![BU of 4ran by Molmil](/molmil-images/mine/4ran) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RHT
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![BU of 4rht by Molmil](/molmil-images/mine/4rht) | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, ... | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7633 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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4RHY
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![BU of 4rhy by Molmil](/molmil-images/mine/4rhy) | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3196 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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4RHX
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![BU of 4rhx by Molmil](/molmil-images/mine/4rhx) | Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0322 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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4RHU
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![BU of 4rhu by Molmil](/molmil-images/mine/4rhu) | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid), ... | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.573 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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