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2FWZ
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BU of 2fwz by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71
Descriptor: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein HSP 90-alpha
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-02-03
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
1V76
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Crystal Structure of Archaeal Ribonuclease P Protein Ph1771p from Pyrococcus horikoshii OT3
Descriptor: RNase P protein Ph1771p, SULFATE ION
Authors:Numata, T, Kakuta, Y, Kimura, M.
Deposit date:2003-12-12
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of archaeal ribonuclease P protein Ph1771p from Pyrococcus horikoshii OT3: an archaeal homolog of eukaryotic ribonuclease P protein Rpp29
Rna, 10, 2004
2OBG
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BU of 2obg by Molmil
Crystal Structure of Monobody MBP-74/Maltose Binding Protein Fusion Complex
Descriptor: Maltose Binding periplasmic Protein and Monobody MBP-74 Fusion protein
Authors:Gilbreth, R.N, Tereshko, V, Koide, S.
Deposit date:2006-12-19
Release date:2007-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-affinity single-domain binding proteins with a binary-code interface.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1G0B
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BU of 1g0b by Molmil
CARBONMONOXY LIGANDED EQUINE HEMOGLOBIN PH 8.5
Descriptor: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
Authors:Mueser, T.C, Rogers, P.H, Arnone, A.
Deposit date:2000-10-05
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interface sliding as illustrated by the multiple quaternary structures of liganded hemoglobin.
Biochemistry, 39, 2000
1L7B
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BU of 1l7b by Molmil
Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT
Descriptor: DNA LIGASE
Authors:Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-03-14
Release date:2003-09-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
1R37
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BU of 1r37 by Molmil
Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol
Descriptor: 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A.
Deposit date:2003-09-30
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry, 42, 2003
2FL2
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BU of 2fl2 by Molmil
crystal structure of KSP in complex with inhibitor 19
Descriptor: (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y.
Deposit date:2006-01-05
Release date:2006-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
2FL6
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crystal structure of KSP in complex with inhibitor 6
Descriptor: (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y.
Deposit date:2006-01-05
Release date:2006-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
1PLP
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BU of 1plp by Molmil
SOLUTION STRUCTURE OF THE CYTOPLASMIC DOMAIN OF PHOSPHOLAMBAN
Descriptor: PHOSPHOLAMBAN
Authors:Mortishire-Smith, R.J, Pitzenberger, S.M, Burke, C.J, Middaugh, C.R, Garsky, V.M, Johnson, R.G.
Deposit date:1995-05-01
Release date:1995-07-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the cytoplasmic domain of phopholamban: phosphorylation leads to a local perturbation in secondary structure.
Biochemistry, 34, 1995
1EJI
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BU of 1eji by Molmil
RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE)
Descriptor: 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], SERINE HYDROXYMETHYLTRANSFERASE
Authors:Szebenyi, D.M.E, Liu, X, Kriksunov, I.A, Stover, P.J, Thiel, D.J.
Deposit date:2000-03-02
Release date:2000-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a murine cytoplasmic serine hydroxymethyltransferase quinonoid ternary complex: evidence for asymmetric obligate dimers.
Biochemistry, 39, 2000
1G09
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CARBONMONOXY LIGANDED BOVINE HEMOGLOBIN PH 7.2
Descriptor: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
Authors:Mueser, T.C, Rogers, P.H, Arnone, A.
Deposit date:2000-10-05
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Interface sliding as illustrated by the multiple quaternary structures of liganded hemoglobin.
Biochemistry, 39, 2000
1G0A
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BU of 1g0a by Molmil
CARBONMONOXY LIGANDED BOVINE HEMOGLOBIN PH 8.5
Descriptor: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
Authors:Mueser, T.C, Rogers, P.H, Arnone, A.
Deposit date:2000-10-05
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Interface sliding as illustrated by the multiple quaternary structures of liganded hemoglobin.
Biochemistry, 39, 2000
1S0M
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BU of 1s0m by Molmil
Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*T)-3', ...
Authors:Ling, H, Sayer, J.M, Boudsocq, F, Plosky, B.S, Woodgate, R, Yang, W.
Deposit date:2003-12-31
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a benzo[a]pyrene diol epoxide adduct in a ternary complex with a DNA polymerase.
Proc.Natl.Acad.Sci.USA, 101, 2004
1SR5
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BU of 1sr5 by Molmil
ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE
Descriptor: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ...
Authors:Dementiev, A, Petitou, M, Gettins, P.G.
Deposit date:2004-03-22
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity.
Nat.Struct.Mol.Biol., 11, 2004
2HEJ
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BU of 2hej by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Aldo-keto reductase family 1, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-21
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
2FKY
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BU of 2fky by Molmil
crystal structure of KSP in complex with inhibitor 13
Descriptor: (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y.
Deposit date:2006-01-05
Release date:2006-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
2HE8
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Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form
Descriptor: ACETATE ION, Aldo-keto reductase family 1, member C21, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-21
Release date:2006-12-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
2HDJ
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Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H)
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-06-20
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
1SSW
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BU of 1ssw by Molmil
Crystal structure of phage T4 lysozyme mutant Y24A/Y25A/T26A/I27A/C54T/C97A
Descriptor: BETA-MERCAPTOETHANOL, Lysozyme
Authors:He, M.M, Baase, W.A, Xiao, H, Heinz, D.W, Matthews, B.W.
Deposit date:2004-03-24
Release date:2004-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation
Protein Sci., 13, 2004
2NSO
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BU of 2nso by Molmil
Trna-gunanine-transglycosylase (TGT) mutant Y106F, C158V, A232S, V233G- APO-Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Tidten, N, Heine, A, Reuter, K, Klebe, G.
Deposit date:2006-11-06
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
1G08
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BU of 1g08 by Molmil
CARBONMONOXY LIGANDED BOVINE HEMOGLOBIN PH 5.0
Descriptor: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
Authors:Mueser, T.C, Rogers, P.H, Arnone, A.
Deposit date:2000-10-05
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interface sliding as illustrated by the multiple quaternary structures of liganded hemoglobin.
Biochemistry, 39, 2000
2CWR
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BU of 2cwr by Molmil
Crystal structure of chitin biding domain of chitinase from Pyrococcus furiosus
Descriptor: chitinase
Authors:Uegaki, K, Nakamura, T, Ishikawa, K, Matsumura, H.
Deposit date:2005-06-24
Release date:2006-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tertiary structure and carbohydrate recognition by the chitin-binding domain of a hyperthermophilic chitinase from Pyrococcus furiosus.
J.Mol.Biol., 381, 2008
2CZN
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BU of 2czn by Molmil
Solution structure of the chitin-binding domain of hyperthermophilic chitinase from pyrococcus furiosus
Descriptor: chitinase
Authors:Uegaki, T, Ikegami, T, Nakamura, T, Hagihara, Y, Mine, S, Inoue, T, Matsumura, H, Ataka, M, Ishikawa, K.
Deposit date:2005-07-13
Release date:2006-07-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Tertiary structure and carbohydrate recognition by the chitin-binding domain of a hyperthermophilic chitinase from Pyrococcus furiosus.
J.Mol.Biol., 381, 2008
1SSY
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BU of 1ssy by Molmil
Crystal structure of phage T4 lysozyme mutant G28A/I29A/G30A/C54T/C97A
Descriptor: Lysozyme
Authors:He, M.M, Baase, W.A, Xiao, H, Heinz, D.W, Matthews, B.W.
Deposit date:2004-03-24
Release date:2004-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation
Protein Sci., 13, 2004
1T8G
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Crystal structure of phage T4 lysozyme mutant L32A/L33A/T34A/C54T/C97A/E108V
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:He, M.M, Wood, Z.A, Baase, W.A, Xiao, H, Matthews, B.W.
Deposit date:2004-05-12
Release date:2004-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation.
Protein Sci., 13, 2004

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