4LKX
 
 | | Humanized antibody 4B12 Fab complexed with a CemX segment | | Descriptor: | CemX segment, Fab fragment heavy chain, Fab fragment light chain | | Authors: | Chu, H.M, Wright, J, Chan, Y.H, Lin, C.J, Chang, T.W, Lim, C. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Two potential therapeutic antibodies bind to a peptide segment of membrane-bound IgE in different conformations.
Nat Commun, 5, 2014
|
|
1RMX
 | | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | | Deposit date: | 2003-11-28 | | Release date: | 2004-08-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
|
|
1RN9
 | | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | | Deposit date: | 2003-12-01 | | Release date: | 2004-08-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
|
|
2MND
 | | Recognition complex of DNA d(CGACGCGTCG)2 with thiazotropsin B | | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3', thiazotropsin B | | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15, 2014
|
|
2MNB
 | | Thiazotropsin B DNA recognition sequence d(CGACGCGTCG)2 | | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3' | | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | | Deposit date: | 2014-04-02 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15, 2014
|
|
2MNE
 | | Recognition complex of DNA d(CGACTAGTCG)2 with thiazotropsin analogue AIK-18/51 | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', AIK-18/51 | | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15, 2014
|
|
2MNF
 | | AIK-18/51 DNA recognition sequence d(CGACTAGTCG)2 | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15, 2014
|
|
3JQB
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2009-09-06 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
|
|
3BMQ
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Martini, V.P, Iulek, J, Hunter, W.N. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
|
|
3BMC
 | |
4CMB
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-16 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
|
|
4CM7
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
|
|
4CM5
 | |
4CLE
 | |
4CM6
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
|
|
4CMK
 | |
4CMA
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
|
|
4CUM
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one | | Descriptor: | (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one, ACETATE ION, ARGININE, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2014-03-20 | | Release date: | 2014-05-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
|
|
4CUL
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one | | Descriptor: | 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one, ACETATE ION, ARGININE, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2014-03-20 | | Release date: | 2014-05-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
|
|
4CUN
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione | | Descriptor: | (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione, ACETATE ION, ARGININE, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2014-03-20 | | Release date: | 2014-05-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
|
|
4CM3
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
|
|
4CMI
 | |
4CLO
 | |
8GVN
 | | Novel salt-resistant antimicrobial peptide, RR14 | | Descriptor: | TRP-LEU-ARG-ARG-ILE-LYS-ALA-TRP-LEU-ARG-ARG-ILE-LYS-ALA | | Authors: | Lin, T.L, Tseng, T.S, Fan, P.J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Deciphering Structure-Function Relationship Unveils Salt-Resistant Mode of Action of a Potent MRSA-Inhibiting Antimicrobial Peptide, RR14.
J.Bacteriol., 204, 2022
|
|
7O18
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
|
|
