1D63
 
 | | CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES | | Descriptor: | BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S. | | Deposit date: | 1992-03-02 | | Release date: | 1993-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
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1VRU
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-04-19 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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1VRT
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-04-19 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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295D
 | | CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY | | Descriptor: | DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3') | | Authors: | Clark, G.R, Brown, D.G, Sanderson, M.R, Chwalinski, T, Neidle, S, Veal, J.M, Jones, R.L, Wilson, W.D, Zon, G, Garman, E, Stuart, D.I. | | Deposit date: | 1991-05-28 | | Release date: | 1996-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
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261D
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2DBE
 | | CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING | | Descriptor: | BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Brown, D.G, Sanderson, M.R, Skelly, J.V, Jenkins, T.C, Brown, T, Garman, E, Stuart, D.I, Neidle, S. | | Deposit date: | 1990-03-19 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
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2VHL
 | | The Three-dimensional structure of the N-Acetylglucosamine-6- phosphate deacetylase from Bacillus subtilis | | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, FE (III) ION, N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE, ... | | Authors: | Vincent, F, Yates, D, Garman, E, Davies, G.J. | | Deposit date: | 2007-11-22 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Three-Dimensional Structure of the N-Acetylglucosamine-6-Phosphate Deacetylase from Bacillus Subtilis
J.Biol.Chem., 279, 2004
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1RTI
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-05-03 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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1RTH
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-05-03 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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1EM0
 | | COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN | | Descriptor: | DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL | | Authors: | Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R. | | Deposit date: | 2000-03-14 | | Release date: | 2000-08-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1HDI
 | | Pig muscle 3-PHOSPHOGLYCERATE KINASE complexed with 3-PG and MgADP. | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Szilagyi, A.N, Ghosh, M, Garman, E, Vas, M. | | Deposit date: | 2000-11-16 | | Release date: | 2001-02-26 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A 1.8 A resolution structure of pig muscle 3-phosphoglycerate kinase with bound MgADP and 3-phosphoglycerate in open conformation: new insight into the role of the nucleotide in domain closure.
J. Mol. Biol., 306, 2001
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1PPN
 | | STRUCTURE OF MONOCLINIC PAPAIN AT 1.60 ANGSTROMS RESOLUTION | | Descriptor: | METHANOL, PAPAIN, UNKNOWN LIGAND | | Authors: | Pickersgill, R.W, Harris, G.W, Garman, E. | | Deposit date: | 1991-10-25 | | Release date: | 1994-01-31 | | Last modified: | 2015-04-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Monoclinic Papain at 1.60 Angstroms Resolution
Acta Crystallogr.,Sect.B, 48, 1992
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1DIM
 | | SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, SIALIDASE | | 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: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 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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1C1B
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186 | | Descriptor: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-21 | | Release date: | 2000-07-21 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
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1C1C
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123 | | Descriptor: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, Okamato, M, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-21 | | Release date: | 2000-07-21 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
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1C0U
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | | Descriptor: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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1C0T
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326 | | Descriptor: | (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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1KIT
 | | VIBRIO CHOLERAE NEURAMINIDASE | | Descriptor: | CALCIUM ION, SIALIDASE | | Authors: | Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G. | | Deposit date: | 1996-06-21 | | Release date: | 1997-06-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Vibrio cholerae neuraminidase reveals dual lectin-like domains in addition to the catalytic domain.
Structure, 2, 1994
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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: | 2023-08-09 | | 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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2O03
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1EP4
 | | Crystal structure of HIV-1 reverse transcriptase in complex with S-1153 | | Descriptor: | 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Nichols, C, Bird, L.E, Fujiwara, T, Suginoto, H, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-03-27 | | Release date: | 2000-09-27 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.
J.Biol.Chem., 275, 2000
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1FKO
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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1FK9
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-09 | | Release date: | 2000-11-03 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
STRUCTURE FOLD.DES., 8, 2000
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1FKP
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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1LWE
 | | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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