1DIL
 
 | | SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH APANA AND EPANA INHIBITORS | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, ... | | Authors: | Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L. | | Deposit date: | 1996-04-23 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
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1DIP
 | | THE SOLUTION STRUCTURE OF PORCINE DELTA-SLEEP-INDUCING PEPTIDE IMMUNOREACTIVE PEPTIDE, NMR, 10 STRUCTURES | | Descriptor: | DELTA-SLEEP-INDUCING PEPTIDE IMMUNOREACTIVE PEPTIDE | | Authors: | Roesch, P, Seidel, G, Adermann, K, Schindler, T, Ejchart, A, Jaenicke, R, Forssmann, W.G. | | Deposit date: | 1997-04-09 | | Release date: | 1997-10-15 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of porcine delta sleep-inducing peptide immunoreactive peptide A homolog of the shortsighted gene product.
J.Biol.Chem., 272, 1997
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1RFI
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC | | Descriptor: | 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-10 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1RFF
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT. | | Descriptor: | 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-08 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1R49
 | | Human topoisomerase I (Topo70) double mutant K532R/Y723F | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(P*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I | | Authors: | Interthal, H, Quigley, P.M, Hol, W.G, Champoux, J.J. | | Deposit date: | 2003-10-03 | | Release date: | 2003-12-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | The role of lysine 532 in the catalytic mechanism of human topoisomerase I.
J.Biol.Chem., 279, 2004
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1RG2
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA | | Descriptor: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1R59
 | | Enterococcus casseliflavus glycerol kinase | | Descriptor: | Glycerol kinase | | Authors: | Yeh, J.I, Charrier, V, Paulo, J, Hou, L, Darbon, E, Claiborne, A, Hol, W.G, Deutscher, J. | | Deposit date: | 2003-10-09 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Enterococcal Glycerol Kinase in the Absence and Presence of Glycerol: Correlation of conformation to substrate binding and a mechanism of activation by phosphorylation
Biochemistry, 43, 2004
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1RDP
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3 | | Descriptor: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-05 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1RG1
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT | | Descriptor: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-10 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1RGT
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC | | Descriptor: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-12 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1XDN
 | | High resolution crystal structure of an editosome enzyme from trypanosoma brucei: RNA editing ligase 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA editing ligase MP52 | | Authors: | Deng, J, Schnaufer, A, Salavati, R, Stuart, K.D, Hol, W.G. | | Deposit date: | 2004-09-07 | | Release date: | 2004-12-07 | | Last modified: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1.
J.Mol.Biol., 343, 2004
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1RGU
 | | The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG | | Descriptor: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-13 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1RF2
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | | Descriptor: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-07 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1XJR
 | | The Structure of a Rigorously Conserved RNA Element Within the SARS Virus Genome | | Descriptor: | MAGNESIUM ION, s2m RNA | | Authors: | Robertson, M.P, Igel, H, Baertsch, R, Haussler, D, Ares Jr, M, Scott, W.G. | | Deposit date: | 2004-09-24 | | Release date: | 2005-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of a rigorously conserved RNA element within the SARS virus genome
Plos Biol., 3, 2005
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1RD9
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | | Descriptor: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ... | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-05 | | Release date: | 2004-10-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1RCV
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | | Descriptor: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-04 | | Release date: | 2004-10-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1RH0
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT | | Descriptor: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-13 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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1S5F
 | | Cholera holotoxin, Crystal form 2 | | Descriptor: | Cholera enterotoxin, A chain, SODIUM ION, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
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1S5E
 | | Cholera holotoxin, Crystal form 1 | | Descriptor: | Cholera enterotoxin, A chain precursor, SODIUM ION, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism
Biochemistry, 43, 2004
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1S5C
 | | Cholera holotoxin with an A-subunit Y30S mutation, Crystal form 1 | | Descriptor: | Cholera enterotoxin, A chain, SODIUM ION, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism
Biochemistry, 43, 2004
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1S5D
 | | Cholera holotoxin with an A-subunit Y30S mutation, Crystal form 2 | | Descriptor: | Cholera enterotoxin, A chain, GLYCEROL, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin
mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
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1Y28
 | | Crystal structure of the R220A metBJFIXL HEME domain | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL | | Authors: | Dunham, C.M, Dioum, E.M, Tuckerman, J.R, Gonzalez, G, Scott, W.G, Gilles-Gonzalez, M.A. | | Deposit date: | 2004-11-21 | | Release date: | 2004-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A distal arginine in the oxygen-sensing heme-PAS domains is essential to ligand binding, signal transduction, and structure
Biochemistry, 42, 2003
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1S5B
 | | Cholera holotoxin with an A-subunit Y30S mutation Form 3 | | Descriptor: | Cholera enterotoxin, A chain precursor, SODIUM ION, ... | | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | | Deposit date: | 2004-01-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism
Biochemistry, 43, 2004
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1Z6F
 | | Crystal structure of penicillin-binding protein 5 from E. coli in complex with a boronic acid inhibitor | | Descriptor: | GLYCEROL, N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE, Penicillin-binding protein 5 | | Authors: | Nicola, G, Peddi, S, Stefanova, M, Nicholas, R.A, Gutheil, W.G, Davies, C. | | Deposit date: | 2005-03-22 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Escherichia coli Penicillin-Binding Protein 5 Bound to a Tripeptide Boronic Acid Inhibitor: A Role for Ser-110 in Deacylation.
Biochemistry, 44, 2005
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1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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