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1E8L
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BU of 1e8l by Molmil
NMR solution structure of hen lysozyme
Descriptor: LYSOZYME
Authors:Schwalbe, H, Grimshaw, S.B, Spencer, A, Buck, M, Boyd, J, Dobson, C.M, Redfield, C, Smith, L.J.
Deposit date:2000-09-27
Release date:2000-10-09
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:A refined solution structure of hen lysozyme determined using residual dipolar coupling data.
Protein Sci., 10, 2001
2ITX
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BU of 2itx by Molmil
Crystal structure of EGFR kinase domain in complex with AMP-PNP
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
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 (2.98 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
2J1Z
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BU of 2j1z by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-F270L
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2IWR
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BU of 2iwr by Molmil
Gtpase Like Domain Of Centaurin Gamma 1 (Human)
Descriptor: CENTAURIN GAMMA 1
Authors:Elkins, J.M, Soundararajan, M, Yang, X, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-07-03
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase.
Biochem.J., 401, 2007
2R6N
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BU of 2r6n by Molmil
Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K
Descriptor: 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine, Cathepsin K
Authors:Cowan-Jacob, S.W, Ramage, P, Mathis, B, Geisse, S.
Deposit date:2007-09-06
Release date:2007-11-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel scaffold for cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2Z7R
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Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Staurosporine
Descriptor: Ribosomal protein S6 kinase alpha-1, STAUROSPORINE
Authors:Ikuta, M, Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
2Z6K
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BU of 2z6k by Molmil
Crystal structure of full-length human RPA14/32 heterodimer
Descriptor: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
Authors:Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E.
Deposit date:2007-08-03
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation
J.Mol.Biol., 374, 2007
2RA3
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Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)
Descriptor: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2007-09-14
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for Accelerated Cleavage of Bovine Pancreatic Trypsin Inhibitor (BPTI) by Human Mesotrypsin.
J.Biol.Chem., 283, 2008
2R9Y
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BU of 2r9y by Molmil
Structure of antiplasmin
Descriptor: Alpha-2-antiplasmin
Authors:Law, R.H.P, Sofian, T, Kan, W.T, Horvath, A.J, Hitchen, C.R, Langendorf, C.G, Buckle, A.M, Whisstock, J.C, Coughlin, P.B.
Deposit date:2007-09-14
Release date:2007-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray crystal structure of the fibrinolysis inhibitor {alpha}2-antiplasmin
Blood, 111, 2008
3IN8
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BU of 3in8 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
Authors:Benfield, A.P, Clements, J.H.
Deposit date:2009-08-11
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
2ITP
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BU of 2itp by Molmil
Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788
Descriptor: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, EPIDERMAL GROWTH FACTOR RECEPTOR PRECURSOR
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 (2.74 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
2ITW
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BU of 2itw by Molmil
Crystal structure of EGFR kinase domain 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 (2.88 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
2ITT
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BU of 2itt by Molmil
Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788
Descriptor: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, 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 (2.73 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
2J0D
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BU of 2j0d by Molmil
Crystal structure of human P450 3A4 in complex with erythromycin
Descriptor: CYTOCHROME P450 3A4, ERYTHROMYCIN A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sjogren, T, Ekroos, M.
Deposit date:2006-08-02
Release date:2006-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
2Z5S
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BU of 2z5s by Molmil
Molecular basis for the inhibition of p53 by Mdmx
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A.
Deposit date:2007-07-17
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
2ITN
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BU of 2itn by Molmil
Crystal structure of EGFR kinase domain G719S mutation in complex with AMP-PNP
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
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 (2.47 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
2J21
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BU of 2j21 by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-R282W
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2J1Y
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BU of 2j1y by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D
Descriptor: CALCIUM ION, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2RNA
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BU of 2rna by Molmil
Itk SH3 average minimized
Descriptor: Tyrosine-protein kinase ITK/TSK
Authors:Severin, A.J.
Deposit date:2007-12-08
Release date:2007-12-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure note: murine Itk SH3 domain
To be Published
3ITI
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BU of 3iti by Molmil
Structure of bovine trypsin with the MAD triangle B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ...
Authors:Beck, T, da Cunha, C.E, Sheldrick, G.M.
Deposit date:2009-08-28
Release date:2009-10-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:How to get the magic triangle and the MAD triangle into your protein crystal.
Acta Crystallogr.,Sect.F, 65, 2009
2ZDK
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BU of 2zdk by Molmil
Exploring Trypsin S3 Pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Baum, B, Brandt, T, Heine, A, Klebe, G.
Deposit date:2007-11-26
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZDV
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BU of 2zdv by Molmil
Exploring Thrombin S1 pocket
Descriptor: D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide, Hirudin variant-1, PHOSPHATE ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2007-11-29
Release date:2008-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Exploring Thrombin S1 pocket
To be Published
3IMA
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BU of 3ima by Molmil
Complex structure of tarocystatin and papain
Descriptor: ACETATE ION, Cysteine proteinase inhibitor, Papain
Authors:Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S.
Deposit date:2009-08-10
Release date:2010-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins.
Planta, 234, 2011
2R9B
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BU of 2r9b by Molmil
Structural Analysis of Plasmepsin 2 from Plasmodium falciparum complexed with a peptide-based inhibitor
Descriptor: Plasmepsin-2, peptide-based inhibitor
Authors:Liu, P, Marzahn, M.R, Robbins, A.H, McKenna, R, Dunn, B.M.
Deposit date:2007-09-12
Release date:2007-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis.
Biochemistry, 48, 2009
2ZGJ
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BU of 2zgj by Molmil
Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate
Descriptor: Granzyme M, SSGKVPLS, SULFATE ION
Authors:Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
Deposit date:2008-01-22
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009

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