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1SHC
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BU of 1shc by Molmil
SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: SHC, TRKA RECEPTOR PHOSPHOPEPTIDE
Authors:Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W.
Deposit date:1996-03-27
Release date:1997-05-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
4AND
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BU of 4and by Molmil
CRYSTAL FORM II OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
Deposit date:2012-03-16
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis.
Plos One, 8, 2013
3RPM
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BU of 3rpm by Molmil
Crystal structure of the first GH20 domain of a novel Beta-N-acetyl-hexosaminidase StrH from Streptococcus pneumoniae R6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetyl-hexosaminidase, PENTAETHYLENE GLYCOL
Authors:Jiang, Y.L, Yu, W.L, Zhang, J.W.
Deposit date:2011-04-27
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the substrate specificity of a novel beta-N-acetylhexosaminidase StrH protein from Streptococcus pneumoniae R6
J.Biol.Chem., 286, 2011
3QHT
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BU of 3qht by Molmil
Crystal Structure of the Monobody ySMB-1 bound to yeast SUMO
Descriptor: GLYCEROL, Monobody ySMB-1, Ubiquitin-like protein SMT3
Authors:Koide, S, Gilbreth, R.N.
Deposit date:2011-01-26
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Isoform-specific monobody inhibitors of small ubiquitin-related modifiers engineered using structure-guided library design.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TOE
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BU of 3toe by Molmil
Structure of Mth10b
Descriptor: DNA/RNA-binding protein Alba
Authors:Pan, X.M, Zhang, N, Liu, Y.F, Liu, X.
Deposit date:2011-09-05
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA.
Plos One, 7, 2012
2QIO
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BU of 2qio by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
Descriptor: Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Klein, G.M, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-07-05
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
7BNU
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BU of 7bnu by Molmil
VDR complex with BXL-62
Descriptor: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
7BNS
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BU of 7bns by Molmil
VDR complex with BXL-62
Descriptor: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2021-01-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
Descriptor: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
Authors:Zhu, C.H, Wu, Y.K, Isupov, M.N.
Deposit date:2020-05-16
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
3CGW
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BU of 3cgw by Molmil
Crystal structure of 2-phospho-(S)-lactate transferase from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR46
Descriptor: LPPG:FO 2-phospho-L-lactate transferase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Ciao, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-03-06
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular insights into the biosynthesis of the f420 coenzyme.
J.Biol.Chem., 283, 2008
2M3C
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BU of 2m3c by Molmil
Solution Structure of gammaM7-Crystallin
Descriptor: Crystallin, gamma M7
Authors:Mahler, B, Wu, Z.
Deposit date:2013-01-16
Release date:2013-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Fish Eye Lens Protein, gamma M7-Crystallin.
Biochemistry, 52, 2013
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
Descriptor: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2020-09-25
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
3CMI
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BU of 3cmi by Molmil
Crystal structure of glutathione-dependent phospholipid peroxidase Hyr1 from the yeast Saccharomyces cerevisiae
Descriptor: Peroxiredoxin HYR1
Authors:Zhang, W.J.Z, He, Y.X, Yu, J, Zhou, C.Z.
Deposit date:2008-03-21
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of glutathione-dependent phospholipid peroxidase Hyr1 from the yeast Saccharomyces cerevisiae
Proteins, 73, 2008
5J0Z
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BU of 5j0z by Molmil
Crystal structure of GLIC in complex with DHA
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Basak, S, Schmandt, N, Chakrapani, S.
Deposit date:2016-03-28
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structure and dynamics of a lipid-induced potential desensitized-state of a pentameric ligand-gated channel.
Elife, 6, 2017
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
Descriptor: Diacylglycerol kinase
Authors:Li, J, Yang, J.
Deposit date:2021-01-13
Release date:2022-04-13
Last modified:2023-09-27
Method:SOLID-STATE NMR
Cite:Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
2OEH
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BU of 2oeh by Molmil
Determination of the Three-dimensional Structure of the Mrf2-DNA Complex Using Paramagnetic Spin Labeling
Descriptor: 5'-D(P*CP*GP*AP*CP*GP*TP*TP*AP*TP*AP*TP*TP*GP*T)-3', 5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3', AT-rich interactive domain-containing protein 5B
Authors:Cai, S, Zhu, L, Zhang, Z.
Deposit date:2006-12-29
Release date:2007-08-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Determination of the three-dimensional structure of the Mrf2-DNA complex using paramagnetic spin labeling.
Biochemistry, 46, 2007
7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
Authors:Chen, X.J, Dai, S.Y, Chen, Y.H.
Deposit date:2021-01-07
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1OGU
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BU of 1ogu by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
Descriptor: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2003-05-13
Release date:2003-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
4P7H
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BU of 4p7h by Molmil
Structure of Human beta-Cardiac Myosin Motor Domain::GFP chimera
Descriptor: Myosin-7,Green fluorescent protein, SULFATE ION
Authors:Winkelmann, D.A, Miller, M.T, Stock, A.M.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Human beta-Cardiac Myosin Motor Domain at 3.2 A
Mol. Biol. Cell, 2011
6NP0
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BU of 6np0 by Molmil
Cryo-EM structure of 5HT3A receptor in presence of granisetron
Descriptor: 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2019-01-17
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor.
Nat Commun, 10, 2019
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
Descriptor: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:D'Angelo, N, Bellon, S, Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7CBY
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BU of 7cby by Molmil
Structure of FOXG1 DNA binding domain bound to DBE2 DNA site
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), ...
Authors:Dai, S.Y, Li, J, Chen, Y.H.
Deposit date:2020-06-15
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural Basis for DNA Recognition by FOXG1 and the Characterization of Disease-causing FOXG1 Mutations.
J.Mol.Biol., 432, 2020
7F4A
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BU of 7f4a by Molmil
Crystal structure of Taf14 YEATS domain in complex with H3K9bz peptide
Descriptor: Histone H3, Transcription initiation factor TFIID subunit 14
Authors:Wang, D, Yan, F, Yong, C.
Deposit date:2021-06-18
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
3OXR
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BU of 3oxr by Molmil
Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011

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