1NPZ
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-20 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
|
|
1QTQ
| GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH TRNA AND AN AMINO ACID ANALOG | Descriptor: | 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, PROTEIN (GLUTAMINYL-TRNA SYNTHETASE), RNA (TRNA GLN II ), ... | Authors: | Rath, V.L, Silvian, L.F, Beijer, B, Sproat, B.S, Steitz, T.A. | Deposit date: | 1998-01-28 | Release date: | 1998-05-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | How glutaminyl-tRNA synthetase selects glutamine. Structure, 6, 1998
|
|
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
|
|
1NS6
| |
1PL8
| human SDH/NAD+ complex | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
|
|
1PL6
| Human SDH/NADH/inhibitor complex | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
|
|
1NXJ
| Structure of Rv3853 from Mycobacterium tuberculosis | Descriptor: | GLYOXYLIC ACID, L(+)-TARTARIC ACID, Probable S-adenosylmethionine:2-demethylmenaquinone methyltransferase | Authors: | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-02-10 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis J.Bacteriol., 185, 2003
|
|
1NQC
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-21 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
|
|
1RSD
| DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1OTC
| THE O. NOVA TELOMERE END BINDING PROTEIN COMPLEXED WITH SINGLE STRAND DNA | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), PROTEIN (TELOMERE-BINDING PROTEIN ALPHA SUBUNIT), PROTEIN (TELOMERE-BINDING PROTEIN BETA SUBUNIT) | Authors: | Horvath, M.P, Schweiker, V.L, Bevilacqua, J.M, Ruggles, J.A, Schultz, S.C. | Deposit date: | 1998-11-25 | Release date: | 1999-04-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the Oxytricha nova telomere end binding protein complexed with single strand DNA. Cell(Cambridge,Mass.), 95, 1998
|
|
1RRW
| DHNA complexed with 9-methylguanine | Descriptor: | 9-METHYLGUANINE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1RS2
| DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione | Descriptor: | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
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
|
|
1PL7
| Human Sorbitol Dehydrogenase (apo) | Descriptor: | Sorbitol dehydrogenase, ZINC ION | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
|
|
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
|
|
1P2F
| |
1RJN
| The Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis in Complex with the CoA Portion of Naphthoyl CoA | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, COENZYME A, menB | Authors: | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-11-19 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms. Acta Crystallogr.,Sect.D, 61, 2005
|
|
1RS4
| DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1RRY
| DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | Descriptor: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1RR6
| Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and phosphate | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Shi, W, Lewandowicz, A, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2003-12-08 | Release date: | 2005-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J.Biol.Chem., 279, 2004
|
|
1RT9
| Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and sulfate | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, 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: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural comparison of human and malarial purine nucleoside phosphorylases To be Published
|
|
1RRI
| DHNA complex with 3-(5-amino-7-hydroxy-[1,2,3] triazolo [4,5-d]pyrimidin-2-yl)-benzoic acid | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-08 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1RJM
| Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, MenB | Authors: | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-11-19 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms. Acta Crystallogr.,Sect.D, 61, 2005
|
|
1RSI
| DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | Descriptor: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
|
|
1SF5
| Structure of oxidized state of the P94A mutant of amicyanin | Descriptor: | Amicyanin, COPPER (II) ION | Authors: | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | Deposit date: | 2004-02-19 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper. Biochemistry, 43, 2004
|
|