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1VFE
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BU of 1vfe by Molmil
HUMAN LACTOFERRIN, N-TERMINAL LOBE MUTANT WITH ARG 121 REPLACED BY SER (R121S)
Descriptor: CARBONATE ION, FE (III) ION, HUMAN LACTOFERRIN
Authors:Faber, H.R, Day, C.L, Baker, E.N.
Deposit date:1996-10-01
Release date:1997-04-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutation of arginine 121 in lactoferrin destabilizes iron binding by disruption of anion binding: crystal structures of R121S and R121E mutants.
Biochemistry, 35, 1996
1VFD
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BU of 1vfd by Molmil
HUMAN LACTOFERRIN, N-TERMINAL LOBE MUTANT WITH ARG 121 REPLACED BY GLU (R121E)
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Faber, H.R, Day, C.L, Baker, E.N.
Deposit date:1996-10-01
Release date:1997-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutation of arginine 121 in lactoferrin destabilizes iron binding by disruption of anion binding: crystal structures of R121S and R121E mutants.
Biochemistry, 35, 1996
5WLR
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BU of 5wlr by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WNW
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BU of 5wnw by Molmil
Chaperone Spy bound to Im7 6-45 ensemble
Descriptor: CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ...
Authors:Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5XK4
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BU of 5xk4 by Molmil
Retracted state of S65-phosphorylated ubiquitin
Descriptor: Polyubiquitin-B
Authors:Dong, X, Gong, Z, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C.
Deposit date:2017-05-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XK5
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BU of 5xk5 by Molmil
Relaxed state of S65-phosphorylated ubiquitin
Descriptor: Polyubiquitin-B
Authors:Xu, D, Zhou, G, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C.
Deposit date:2017-05-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XZ9
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BU of 5xz9 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-12
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ7
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BU of 5xz7 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZA
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BU of 5xza by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, CITRATE ANION, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-12
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ8
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BU of 5xz8 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ6
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BU of 5xz6 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: ATP-dependent 6-phosphofructokinase, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
6OUV
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BU of 6ouv by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with methylacetylphosphonate (MAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2019-05-05
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:X-ray crystallography-based structural elucidation of enzyme-bound intermediates along the 1-deoxy-d-xylulose 5-phosphate synthase reaction coordinate.
J.Biol.Chem., 294, 2019
6OUW
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BU of 6ouw by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with enamine intermediate bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2019-05-05
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:X-ray crystallography-based structural elucidation of enzyme-bound intermediates along the 1-deoxy-d-xylulose 5-phosphate synthase reaction coordinate.
J.Biol.Chem., 294, 2019
1WRP
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BU of 1wrp by Molmil
FLEXIBILITY OF THE DNA-BINDING DOMAINS OF TRP REPRESSOR
Descriptor: TRP REPRESSOR, TRYPTOPHAN
Authors:Schewitz, R.W, Otwinowski, Z, Lawson, C.L, Joachimiak, A, Sigler, P.B.
Deposit date:1987-12-01
Release date:1988-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Flexibility of the DNA-binding domains of trp repressor.
Proteins, 3, 1988
1JM1
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BU of 1jm1 by Molmil
Crystal structure of the soluble domain of the Rieske protein II (soxF) from Sulfolobus acidocaldarius
Descriptor: FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein soxF
Authors:Boenisch, H, Schmidt, C.L, Schaefer, G, Ladenstein, R.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The structure of the soluble domain of an archaeal Rieske iron-sulfur protein at 1.1 A resolution.
J.Mol.Biol., 319, 2002
1M0V
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BU of 1m0v by Molmil
NMR STRUCTURE OF THE TYPE III SECRETORY DOMAIN OF YERSINIA YOPH COMPLEXED WITH THE SKAP-HOM PHOSPHO-PEPTIDE N-acetyl-DEpYDDPF-NH2
Descriptor: PROTEIN-TYROSINE PHOSPHATASE YOPH, SKAP55 homologue
Authors:Khandelwal, P, Keliikuli, K, Smith, C.L, Saper, M.A, Zuiderweg, E.R.P.
Deposit date:2002-06-14
Release date:2002-07-24
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure and phosphopeptide binding to the N-terminal domain of Yersinia YopH: comparison with a crystal structure
Biochemistry, 41, 2002
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2023-12-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
1HR1
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BU of 1hr1 by Molmil
Structure of an indolicidin peptide derivative with P-->A substitution
Descriptor: INDOLICIDIN
Authors:Friedrich, C.L, Rozek, A, Patrzykat, A, Hancock, R.E.W.
Deposit date:2000-12-20
Release date:2001-01-03
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure and mechanism of action of an indolicidin peptide derivative with improved activity against Gram-positive bacteria
J.Biol.Chem., 276, 2001
1INY
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BU of 1iny by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1INW
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BU of 1inw by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1INX
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BU of 1inx by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
1U6R
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BU of 1u6r by Molmil
Transition state analog complex of muscle creatine kinase (R134K) mutant
Descriptor: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase, ...
Authors:Ohren, J.F, Kundracik, M.L, Borders, C.L, Edmiston, P, Viola, R.E.
Deposit date:2004-07-30
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural asymmetry and intersubunit communication in muscle creatine kinase
Acta Crystallogr.,Sect.D, 63, 2007
7OHE
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BU of 7ohe by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3')
Authors:Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
Deposit date:2021-05-10
Release date:2021-11-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021

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數據於2024-09-25公開中

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