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4OMP
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BU of 4omp by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128K
分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-01-27
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
4OIJ
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BU of 4oij by Molmil
X-ray crystal structure of racemic non-glycosylated chemokine Ser-CCL1
分子名称: C-C motif chemokine 1, D-Ser-CCL1, SULFATE ION
著者Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
登録日2014-01-19
公開日2014-05-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4OMW
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BU of 4omw by Molmil
Crystal structure of goat beta-lactoglobulin (orthorhombic form)
分子名称: Beta-lactoglobulin, GLYCEROL, SULFATE ION, ...
著者Loch, J.I, Swiatek, S, Czub, M, Ludwikowska, M, Lewinski, K.
登録日2014-01-27
公開日2014-11-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies.
Int.J.Biol.Macromol., 72C, 2014
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-04
公開日2010-05-26
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1F5F
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BU of 1f5f by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Avvakumov, V.A, Muller, Y.A, Hammond, G.L.
登録日2000-06-14
公開日2000-09-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
3H1E
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BU of 3h1e by Molmil
Crystal structure of Mg(2+) and BeH(3)(-)-bound CheY of Helicobacter pylori
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY homolog, MAGNESIUM ION, ...
著者Lam, K.H, Ling, T.K, Au, S.W.
登録日2009-04-12
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of activated CheY1 from Helicobacter pylori.
J.Bacteriol., 192, 2010
3HC9
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BU of 3hc9 by Molmil
Ferric Horse Heart Myoglobin; H64V mutant
分子名称: Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yi, J, Thomas, L.M, Richter-Addo, G.B.
登録日2009-05-05
公開日2009-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
5DQ4
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BU of 5dq4 by Molmil
Endothiapepsin in complex with fragment 66
分子名称: 1-[6-(furan-2-yl)pyridin-3-yl]methanamine, Endothiapepsin, GLYCEROL
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
1F4T
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BU of 1f4t by Molmil
THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS WITH 4-PHENYLIMIDAZOLE BOUND
分子名称: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 119, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2000-06-09
公開日2000-10-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus.
J.Biol.Chem., 275, 2000
5DQN
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BU of 5dqn by Molmil
Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y
分子名称: CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ...
著者Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A.
登録日2015-09-15
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis.
Biochemistry, 54, 2015
4ORY
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BU of 4ory by Molmil
Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase holo, second crystal form
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Prostaglandin-H2 D-isomerase
著者Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
登録日2014-02-12
公開日2014-08-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
5DR0
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BU of 5dr0 by Molmil
Endothiapepsin in complex with fragment 203
分子名称: 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4OS2
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BU of 4os2 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1)
分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
1F26
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BU of 1f26 by Molmil
CRYSTAL STRUCTURE OF NO COMPLEX OF THR243VAL MUTANTS OF CYTOCHROME P450NOR
分子名称: GLYCEROL, NITRIC OXIDE, NITRIC OXIDE REDUCTASE, ...
著者Shimizu, H, Park, S.-Y.
登録日2000-05-23
公開日2000-11-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mutation effects of a conserved threonine (Thr243) of cytochrome P450nor on its structure and function.
J.Inorg.Biochem., 82, 2000
1F2I
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BU of 1f2i by Molmil
COCRYSTAL STRUCTURE OF SELECTED ZINC FINGER DIMER BOUND TO DNA
分子名称: 5'-D(*AP*TP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*AP*T)-3', FUSION OF N-TERMINAL 17-MER PEPTIDE EXTENSION TO ZIF12, ZINC ION
著者Wang, B.S, Grant, R.A, Pabo, C.O.
登録日2000-05-25
公開日2001-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Selected peptide extension contacts hydrophobic patch on neighboring zinc finger and mediates dimerization on DNA.
Nat.Struct.Biol., 8, 2001
1F43
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SOLUTION STRUCTURE OF THE MATA1 HOMEODOMAIN
分子名称: MATING-TYPE PROTEIN A-1
著者Anderson, J.S, Forman, M, Modleski, S, Dahlquist, F.W, Baxter, S.M.
登録日2000-06-07
公開日2000-07-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Cooperative ordering in homeodomain-DNA recognition: solution structure and dynamics of the MATa1 homeodomain.
Biochemistry, 39, 2000
4OWE
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BU of 4owe by Molmil
PtCl6 binding to HEWL
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
登録日2014-01-31
公開日2014-09-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
5DLS
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BU of 5dls by Molmil
Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design
分子名称: 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M.
登録日2015-09-07
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design.
Oncotarget, 6, 2015
1F5O
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BU of 1f5o by Molmil
2.9 ANGSTROM CRYSTAL STRUCTURE OF DEOXYGENATED LAMPREY HEMOGLOBIN V IN THE SPACE GROUP P2(1)2(1)2(1)
分子名称: HEMOGLOBIN V, PROTOPORPHYRIN IX CONTAINING FE
著者Heaslet, H.A, Royer Jr, W.E.
登録日2000-06-15
公開日2000-08-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystalline ligand transitions in lamprey hemoglobin. Structural evidence for the regulation of oxygen affinity.
J.Biol.Chem., 276, 2001
1F4V
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BU of 1f4v by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
分子名称: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
著者Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E.
登録日2000-06-10
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
4OWA
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BU of 4owa by Molmil
Carboplatin binding to HEWL under sodium iodide crystallisation conditions
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Tanley, S.W.M, Helliwell, J.R.
登録日2014-01-31
公開日2014-09-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Chemical conversion of cisplatin and carboplatin with histidine in a model protein crystallized under sodium iodide conditions.
Acta Crystallogr.,Sect.F, 70, 2014
4OXF
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BU of 4oxf by Molmil
Structure of ECP in complex with citrate ions at 1.50 Angstroms
分子名称: CITRIC ACID, Eosinophil cationic protein, FE (III) ION
著者Blanco, J.A, Boix, E, Moussaoui, M, Salazar, V.A.
登録日2014-02-05
公開日2015-03-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
1F2F
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SRC SH2 THREF1TRP MUTANT
分子名称: PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F.
登録日2000-05-24
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
4P0F
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Cleaved Serpin 42Da (C 2 2 21)
分子名称: Serine protease inhibitor 4, isoform B
著者Ellisdon, A.M, Whisstock, J.C.
登録日2014-02-21
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
5DMZ
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BU of 5dmz by Molmil
Structure of human Bub1 kinase domain phosphorylated at Ser969
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
著者Breit, C, Weir, J.R, Musacchio, A.
登録日2015-09-09
公開日2015-12-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role of Intrinsic and Extrinsic Factors in the Regulation of the Mitotic Checkpoint Kinase Bub1.
Plos One, 10, 2015

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