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3OWG
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BU of 3owg by Molmil
Crystal structure of vaccinia virus Polyadenylate polymerase(vp55)
Descriptor: Poly(A) polymerase catalytic subunit
Authors:Li, C, Li, H, Zhou, S, Gershon, P.D, Poulos, T.L.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Domain-level rocking motion within a polymerase that translocates on single-stranded nucleic acid.
Acta Crystallogr.,Sect.D, 69, 2013
4L98
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BU of 4l98 by Molmil
Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
3W2Q
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BU of 3w2q by Molmil
EGFR kinase domain T790M/L858R mutant with HKI-272
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3SRD
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BU of 3srd by Molmil
Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Allosetric regulation of M2 pyruvate kinase.
To be Published
2NC3
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BU of 2nc3 by Molmil
Solution Structure of N-Allosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-allopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
3W77
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BU of 3w77 by Molmil
Crystal Structure of azoreductase AzrA
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ogata, D, Yu, J, Ooi, T, Yao, M.
Deposit date:2013-02-27
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4DD7
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BU of 4dd7 by Molmil
EVAL processed HEWL, carboplatin DMSO glycerol
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Lysozyme C, ...
Authors:Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
Deposit date:2012-01-18
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
1D41
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BU of 1d41 by Molmil
STABILIZATION OF Z-DNA BY DEMETHYLATION OF THYMINE BASES: 1.3 ANGSTROMS SINGLE-CRYSTAL STRUCTURE OF D(M5CGUAM5CG)
Descriptor: DNA (5'-D(*(5CM)P*GP*UP*AP*(5CM)P*G)-3'), MAGNESIUM ION
Authors:Zhou, G, Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Stabilization of Z-DNA by demethylation of thymine bases: 1.3-A single-crystal structure of d(m5CGUAm5CG).
Biochemistry, 29, 1990
1QC1
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BU of 1qc1 by Molmil
CRYSTAL STRUCTURE OF THE SELF-FITTED B-DNA DECAMER D(CCGCCGGCGG)
Descriptor: 5'-D(*CP*CP*GP*CP*CP*GP*GP*CP*GP*G)-3', MAGNESIUM ION
Authors:Timsit, Y, Moras, D.
Deposit date:1999-05-14
Release date:1999-05-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA self-fitting: the double helix directs the geometry of its supramolecular assembly
EMBO J., 13, 1994
4IXG
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BU of 4ixg by Molmil
pcDHFR-268-K37S-N69F variant
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Authors:Cody, V.
Deposit date:2013-01-25
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, Synthesis, and Molecular Modeling of Novel Pyrido[2,3-d]pyrimidine Analogues As Antifolates; Application of Buchwald-Hartwig Aminations of Heterocycles.
J.Med.Chem., 56, 2013
4DD9
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BU of 4dd9 by Molmil
EVAL processed HEWL, carboplatin DMSO paratone
Descriptor: DIMETHYL SULFOXIDE, Lysozyme C, carboplatin
Authors:Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
Deposit date:2012-01-18
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
4LOK
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BU of 4lok by Molmil
Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p]
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LPJ
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BU of 4lpj by Molmil
One minute iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-16
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
1ATP
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BU of 1atp by Molmil
2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PEPTIDE INHIBITOR PKI(5-24), ...
Authors:Zheng, J, Trafny, E.A, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Teneyck, L.F, Sowadski, J.M.
Deposit date:1993-01-08
Release date:1993-04-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor.
Acta Crystallogr.,Sect.D, 49, 1993
2E4X
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BU of 2e4x by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 1S,3R-ACPD
Descriptor: (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
1KIB
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BU of 1kib by Molmil
cytochrome c6 from Arthrospira maxima: an assembly of 24 subunits in the form of an oblate shell
Descriptor: HEME C, cytochrome c6
Authors:Kerfeld, C.A, Sawaya, M.R, Krogmann, D, Yeates, T.O.
Deposit date:2001-12-03
Release date:2002-07-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of cytochrome c6 from Arthrospira maxima: an assembly of 24 subunits in a nearly symmetric shell.
Acta Crystallogr.,Sect.D, 58, 2002
1UZI
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BU of 1uzi by Molmil
C3 EXOENZYME FROM CLOSTRIDIUM BOTULINUM, TETRAGONAL FORM
Descriptor: CYCLO-TETRAMETAVANADATE, GLYCEROL, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
Authors:Evans, H.R, Holloway, D.E, Sutton, J.M, Ayriss, J, Shone, C.C, Acharya, K.R.
Deposit date:2004-03-12
Release date:2004-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:C3 Exoenzyme from Clostridium Botulinum: Structure of a Tetragonal Crystal Form and a Reassessment of Nad-Induced Flexure
Acta Crystallogr.,Sect.D, 60, 2004
2IXU
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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J4C
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BU of 2j4c by Molmil
Structure of human Butyrylcholinesterase in complex with 10mM HgCl2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Colletier, J.P, Frasco, M.F, Carvalho, F, Guilhermino, L, Stojan, J, Fournier, D, Weik, M.
Deposit date:2006-08-28
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanisms of Cholinesterase Inhibition by Inorganic Mercury.
FEBS J., 274, 2007
2E4U
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BU of 2e4u by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with L-glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 3
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E4Y
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BU of 2e4y by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 2R,4R-APDC
Descriptor: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
1QCH
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BU of 1qch by Molmil
STRUCTURE, DYNAMICS AND HYDRATION OF THE NOGALAMYCIN-D(ATGCAT)2 COMPLEX DETERMINED BY NMR AND MOLECULAR DYNAMICS SIMULATIONS IN SOLUTION
Descriptor: 5'-D(*AP*TP*GP*CP*AP*T)-3', NOGALAMYCIN, SODIUM ION
Authors:Williams, H.E.L, Searle, M.S.
Deposit date:1999-05-05
Release date:1999-08-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure, dynamics and hydration of the nogalamycin-d(ATGCAT)2Complex determined by NMR and molecular dynamics simulations in solution.
J.Mol.Biol., 290, 1999
3TH3
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BU of 3th3 by Molmil
Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2011-08-18
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
To be Published
1LR8
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BU of 1lr8 by Molmil
Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue D-myo-inositol hexasulphate (Ins6S)
Descriptor: D-MYO-INOSITOL-HEXASULPHATE, Follistatin
Authors:Innis, C.A, Hyvonen, M.
Deposit date:2002-05-15
Release date:2003-07-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003

225399

数据于2024-09-25公开中

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