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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
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: C-C motif chemokine 1, D-Ser-CCL1, SULFATE ION
Authors:Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
Deposit date:2014-01-19
Release date:2014-05-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:(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)
Descriptor: Beta-lactoglobulin, GLYCEROL, SULFATE ION, ...
Authors:Loch, J.I, Swiatek, S, Czub, M, Ludwikowska, M, Lewinski, K.
Deposit date:2014-01-27
Release date:2014-11-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies.
Int.J.Biol.Macromol., 72C, 2014
1F5F
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BU of 1f5f by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Avvakumov, V.A, Muller, Y.A, Hammond, G.L.
Deposit date:2000-06-14
Release date:2000-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
Descriptor: 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
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3H1E
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BU of 3h1e by Molmil
Crystal structure of Mg(2+) and BeH(3)(-)-bound CheY of Helicobacter pylori
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY homolog, MAGNESIUM ION, ...
Authors:Lam, K.H, Ling, T.K, Au, S.W.
Deposit date:2009-04-12
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yi, J, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2009-05-05
Release date:2009-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1-[6-(furan-2-yl)pyridin-3-yl]methanamine, Endothiapepsin, GLYCEROL
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 119, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2000-06-09
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ...
Authors:Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A.
Deposit date:2015-09-15
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.262 Å)
Cite: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
Descriptor: 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
Authors:Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
Deposit date:2014-02-12
Release date:2014-08-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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)
Descriptor: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: GLYCEROL, NITRIC OXIDE, NITRIC OXIDE REDUCTASE, ...
Authors:Shimizu, H, Park, S.-Y.
Deposit date:2000-05-23
Release date:2000-11-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 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
Authors:Wang, B.S, Grant, R.A, Pabo, C.O.
Deposit date:2000-05-25
Release date:2001-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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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BU of 1f43 by Molmil
SOLUTION STRUCTURE OF THE MATA1 HOMEODOMAIN
Descriptor: MATING-TYPE PROTEIN A-1
Authors:Anderson, J.S, Forman, M, Modleski, S, Dahlquist, F.W, Baxter, S.M.
Deposit date:2000-06-07
Release date:2000-07-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2015-09-07
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: HEMOGLOBIN V, PROTOPORPHYRIN IX CONTAINING FE
Authors:Heaslet, H.A, Royer Jr, W.E.
Deposit date:2000-06-15
Release date:2000-08-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
Authors: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.
Deposit date:2000-06-10
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Tanley, S.W.M, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.796 Å)
Cite: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
Descriptor: CITRIC ACID, Eosinophil cationic protein, FE (III) ION
Authors:Blanco, J.A, Boix, E, Moussaoui, M, Salazar, V.A.
Deposit date:2014-02-05
Release date:2015-03-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
1F2F
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BU of 1f2f by Molmil
SRC SH2 THREF1TRP MUTANT
Descriptor: PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
Authors:Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F.
Deposit date:2000-05-24
Release date:2000-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
5DMZ
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BU of 5dmz by Molmil
Structure of human Bub1 kinase domain phosphorylated at Ser969
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
Authors:Breit, C, Weir, J.R, Musacchio, A.
Deposit date:2015-09-09
Release date:2015-12-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Role of Intrinsic and Extrinsic Factors in the Regulation of the Mitotic Checkpoint Kinase Bub1.
Plos One, 10, 2015
4P0F
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BU of 4p0f by Molmil
Cleaved Serpin 42Da (C 2 2 21)
Descriptor: Serine protease inhibitor 4, isoform B
Authors:Ellisdon, A.M, Whisstock, J.C.
Deposit date:2014-02-21
Release date:2014-05-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014

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