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1VRU
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BU of 1vru by Molmil
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
1VRT
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BU of 1vrt by Molmil
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
295D
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BU of 295d by Molmil
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
261D
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BU of 261d by Molmil
CRYSTAL STRUCTURE OF THE DNA DECAMER D(CGCAATTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3'), NETROPSIN
Authors:Nunn, C.M, Garman, E, Neidle, S.
Deposit date:1996-11-08
Release date:1997-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the DNA decamer d(CGCAATTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 36, 1997
2DBE
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BU of 2dbe by Molmil
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
1D63
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BU of 1d63 by Molmil
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
1RTI
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BU of 1rti by Molmil
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
1RTH
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BU of 1rth by Molmil
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
2VHL
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BU of 2vhl by Molmil
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
1EM0
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BU of 1em0 by Molmil
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
1PPN
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BU of 1ppn by Molmil
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
1HDI
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BU of 1hdi by Molmil
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
1C1B
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BU of 1c1b by Molmil
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
1C1C
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BU of 1c1c by Molmil
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
1C0U
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BU of 1c0u by Molmil
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
1C0T
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BU of 1c0t by Molmil
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
1KIT
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BU of 1kit by Molmil
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
1DIM
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BU of 1dim by Molmil
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
1DIL
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BU of 1dil by Molmil
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
2O03
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BU of 2o03 by Molmil
Crystal structure of FurB from M. tuberculosis- a Zinc uptake regulator
Descriptor: ZINC ION, probable Zinc uptake regulation protein FurB
Authors:Lucarelli, D, Russo, S, Pohl, E.
Deposit date:2006-11-27
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Crystal structure and function of the zinc uptake regulator FurB from Mycobacterium tuberculosis.
J.Biol.Chem., 282, 2007
2FQL
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BU of 2fql by Molmil
Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae
Descriptor: Frataxin homolog, mitochondrial
Authors:Al-Karadaghi, S, Karlberg, T.
Deposit date:2006-01-18
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:The structures of frataxin oligomers reveal the mechanism for the delivery and detoxification of iron.
Structure, 14, 2006
1TL3
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BU of 1tl3 by Molmil
Crystal structure of hiv-1 reverse transcriptase in complex with gw450557
Descriptor: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
Authors:Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TKT
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BU of 1tkt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
Descriptor: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TL1
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BU of 1tl1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211
Descriptor: 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
Authors:Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TKZ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576
Descriptor: 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
Authors:Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004

 

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