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3BEA
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cFMS tyrosine kinase (tie2 KID) in complex with a pyrimidinopyridone inhibitor
Descriptor: 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, SULFATE ION
Authors:Schubert, C.
Deposit date:2007-11-16
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BEJ
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Structure of human FXR in complex with MFA-1 and co-activator peptide
Descriptor: (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Soisson, S.M, Parthasarathy, G, Becker, J.W.
Deposit date:2007-11-19
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BEW
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BU of 3bew by Molmil
10mer Crystal Structure of chicken MHC class I haplotype B21
Descriptor: 10-mer from Tubulin beta-6 chain, Beta-2-microglobulin, Major histocompatibility complex class I glycoprotein haplotype B21
Authors:Koch, M, Camp, S, Collen, T, Avila, D, Salomonsen, J, Wallny, H.J, van Hateren, A, Hunt, L, Jacob, J.P, Johnston, F, Marston, D.A, Shaw, I, Dunbar, P.R, Cerundolo, V, Jones, E.Y, Kaufman, J.
Deposit date:2007-11-20
Release date:2008-01-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of an MHC class I molecule from b21 chickens illustrate promiscuous Peptide binding
Immunity, 27, 2007
3BIA
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BU of 3bia by Molmil
Tim-4 in complex with sodium potassium tartrate
Descriptor: L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4
Authors:Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M.
Deposit date:2007-11-30
Release date:2008-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds.
Immunity, 27, 2007
2J2S
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BU of 2j2s by Molmil
Solution structure of the nonmethyl-CpG-binding CXXC domain of the leukaemia-associated MLL histone methyltransferase
Descriptor: ZINC FINGER PROTEIN HRX, ZINC ION
Authors:Allen, M.D, Grummitt, C.G, Hilcenko, C, Young-Min, S, Tonkin, L.M, Johnson, C.M, Bycroft, M, Warren, A.J.
Deposit date:2006-08-17
Release date:2006-08-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Nonmethyl-Cpg-Binding Cxxc Domain of the Leukaemia-Associated Mll Histone Methyltransferase
Embo J., 25, 2006
3B2T
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BU of 3b2t by Molmil
Structure of phosphotransferase
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION
Authors:Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J.
Deposit date:2007-10-19
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3B3S
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BU of 3b3s by Molmil
Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine
Descriptor: Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ...
Authors:Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D.
Deposit date:2007-10-22
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
3B3C
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BU of 3b3c by Molmil
Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid
Descriptor: Bacterial leucyl aminopeptidase, LEUCINE PHOSPHONIC ACID, POTASSIUM ION, ...
Authors:Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D.
Deposit date:2007-10-19
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
Descriptor: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
Descriptor: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B75
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BU of 3b75 by Molmil
Crystal Structure of Glycated Human Haemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Saraswathi, N.T, Syakhovich, V.E, Bokut, S.B, Moras, D, Ruff, M.
Deposit date:2007-10-30
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The effect of hemoglobin glycosylation on diabete linked oxidative stress
To be Published
2IVT
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BU of 2ivt by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain
Descriptor: ADENOSINE MONOPHOSPHATE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR
Authors:Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
Deposit date:2006-06-16
Release date:2006-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006
3B7B
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BU of 3b7b by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1)
Descriptor: Euchromatic histone-lysine N-methyltransferase 1, SULFATE ION
Authors:Collins, R.E, Horton, J.R, Cheng, X.
Deposit date:2007-10-30
Release date:2008-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules
Nat.Struct.Mol.Biol., 15, 2008
3B92
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BU of 3b92 by Molmil
Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones
Descriptor: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ADAM 17, ZINC ION
Authors:Wei, Y.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.
Bioorg.Med.Chem.Lett., 18, 2008
2J2P
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BU of 2j2p by Molmil
L-ficolin complexed to N-acetyl-cystein (150mM)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FICOLIN-2, ...
Authors:Garlatti, V, Gaboriaud, C.
Deposit date:2006-08-17
Release date:2007-01-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
2ITU
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BU of 2itu by Molmil
Crystal structure of EGFR kinase domain L858R mutation in complex with AFN941
Descriptor: 1,2,3,4-Tetrahydrogen Staurosporine, EPIDERMAL GROWTH FACTOR RECEPTOR
Authors:Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J.
Deposit date:2006-05-25
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity
Cancer Cell, 11, 2007
3BAQ
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BU of 3baq by Molmil
Crystal structure of L26A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-08
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3BA5
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BU of 3ba5 by Molmil
Crystal structure of D28A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3BAD
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BU of 3bad by Molmil
Crystal structure of D70A/H93G mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
2J5E
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BU of 2j5e by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
Descriptor: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2006-09-14
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
3BEU
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BU of 3beu by Molmil
Na+-Dependent Allostery Mediates Coagulation Factor Protease Active Site Selectivity
Descriptor: BENZAMIDINE, CALCIUM ION, SODIUM ION, ...
Authors:Page, M.J, Carrell, C.J, Di Cera, E.
Deposit date:2007-11-20
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Engineering protein allostery: 1.05 A resolution structure and enzymatic properties of a Na+-activated trypsin.
J.Mol.Biol., 378, 2008
2VLE
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BU of 2vle by Molmil
The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase
Descriptor: ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL, DAIDZIN
Authors:Lowe, E.D, Gao, G.Y, Johnson, L.N, Keung, W.M.
Deposit date:2008-01-13
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Daidzin, a Naturally Occurring Anti-Alcohol-Addiction Agent, in Complex with Human Mitochondrial Aldehyde Dehydrogenase.
J.Med.Chem., 51, 2008
2V14
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Kinesin 16B Phox-homology domain (KIF16B)
Descriptor: KINESIN-LIKE MOTOR PROTEIN C20ORF23
Authors:Wilson, M.I, Williams, R.L, Cho, W, Hong, W, Blatner, N.R.
Deposit date:2007-05-21
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of Novel Endosome Anchoring Activity of Kif16B Kinesin.
Embo J., 26, 2007
3BEL
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BU of 3bel by Molmil
X-ray structure of EGFR in complex with oxime inhibitor
Descriptor: 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION
Authors:Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J.
Deposit date:2007-11-19
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases.
Bioorg.Med.Chem.Lett., 18, 2008
3GE2
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BU of 3ge2 by Molmil
Crystal structure of putative lipoprotein SP_0198 from Streptococcus pneumoniae
Descriptor: CHLORIDE ION, GLYCEROL, Lipoprotein, ...
Authors:Kim, Y, Zhang, R, Joachimiak, G, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-02-24
Release date:2009-03-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Crystal Structure of Putative Lipoprotein SP_0198 from Streptococcus pneumoniae
To be Published

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