Author results

1CCV
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NMR SOLUTION STRUCTURE OF APIS MELLIFERA CHYMOTRYPSIN INHIBITOR (AMCI).
Descriptor:CHYMOTRYPSIN INHIBITOR
Authors:Cierpicki, T., Otlewski, J.
Deposit date:1999-03-02
Release date:1999-03-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR solution structure of Apis mellifera chymotrypsin/cathepsin G inhibitor-1 (AMCI-1): structural similarity with Ascaris protease inhibitors
Protein Sci., 9, 2000
1DWM
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SOLUTION STRUCTURE OF LINUM USITATISSINUM TRYPSIN INHIBITOR (LUTI)
Descriptor:LINUM USITATISSINUM TRYPSIN INHIBITOR
Authors:Cierpicki, T., Otlewski, J.
Deposit date:1999-12-08
Release date:1999-12-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Determination of a High Precision Structure of a Novel Protein, Linum Usitatissimum Trypsin Inhibitor (Luti), Using Computer-Aided Assignment of Noesy Cross-Peaks
J.Mol.Biol., 302, 2000
1LD5
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STRUCTURE OF BPTI MUTANT A16V
Descriptor:PANCREATIC TRYPSIN INHIBITOR
Authors:Cierpicki, T., Otlewski, J.
Deposit date:2002-04-08
Release date:2002-09-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.
J.Mol.Biol., 321, 2002
1LD6
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STRUCTURE OF BPTI_8A MUTANT
Descriptor:PANCREATIC TRYPSIN INHIBITOR
Authors:Cierpicki, T., Otlewski, J.
Deposit date:2002-04-08
Release date:2002-09-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.
J.Mol.Biol., 321, 2002
2GE4
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HIGH-RESOLUTION SOLUTION STRUCTURE OF OUTER MEMBRANE PROTEIN A TRANSMEMBRANE DOMAIN
Descriptor:Outer membrane protein A
Authors:Cierpicki, T., Liang, B., Tamm, L.K., Bushweller, J.H.
Deposit date:2006-03-17
Release date:2006-04-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Increasing the accuracy of solution NMR structures of membrane proteins by application of residual dipolar couplings. High-resolution structure of outer membrane protein A.
J.Am.Chem.Soc., 128, 2006
2JYI
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SOLUTION STRUCTURE OF MLL CXXC DOMAIN
Descriptor:Zinc finger protein HRX, ZINC ION
Authors:Cierpicki, T., Bushweller, J.H.
Deposit date:2007-12-13
Release date:2008-12-09
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural basis for maintenance of unmethylated CpG elements by the CXXC domain of MLL and its critical contributions to MLL-AF9 immortalization activity
To be Published
2KKF
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SOLUTION STRUCTURE OF MLL CXXC DOMAIN IN COMPLEX WITH PALINDROMIC CPG DNA
Descriptor:Histone-lysine N-methyltransferase HRX, 5'-D(*CP*CP*CP*TP*GP*CP*GP*CP*AP*GP*GP*G)-3', ZINC ION
Authors:Cierpicki, T., Riesbeck, J.E., Grembecka, J.E., Lukasik, S.M., Popovic, R., Omonkowska, M., Shultis, D.S., Zeleznik-Le, N.J., Bushweller, J.H.
Deposit date:2009-06-18
Release date:2009-12-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the MLL CXXC domain-DNA complex and its functional role in MLL-AF9 leukemia.
Nat.Struct.Mol.Biol., 17, 2010
2MTN
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SOLUTION STRUCTURE OF MLL-IBD COMPLEX
Descriptor:Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein fusion
Authors:Cierpicki, T., Pollock, J., Murai, M.
Deposit date:2014-08-23
Release date:2014-12-03
Last modified:2015-04-22
Method:SOLUTION NMR
Cite:The same site on the integrase-binding domain of lens epithelium-derived growth factor is a therapeutic target for MLL leukemia and HIV.
Blood, 124, 2014
2NA1
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ULD COMPLEX
Descriptor:Polycomb complex protein BMI-1, Polyhomeotic-like 2
Authors:Cierpicki, T., Gray, F., Cho, H.
Deposit date:2015-12-17
Release date:2016-11-16
Last modified:2018-01-31
Method:SOLUTION NMR
Cite:BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization.
Nat Commun, 7, 2016
1MJD
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STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor:DOUBLECORTIN
Authors:Kim, M.H., Cierpicki, T., Derewenda, U., Krowarsch, D., Feng, Y., Devedjiev, Y., Dauter, Z., Walsh, C.A., Otlewski, J., Bushweller, J.H., Derewenda, Z.S.
Deposit date:2002-08-27
Release date:2003-04-29
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase
Nat.Struct.Biol., 10, 2003
4GPQ
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STRUCTURAL INSIGHTS INTO INHIBITION OF THE BIVALENT MENIN-MLL INTERACTION BY SMALL MOLECULES IN LEUKEMIA
Descriptor:Menin, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Shi, A., Murai, M.J., He, S., Lund, G.L., Hartley, T., Purohit, T., Reddy, G., Chruszcz, M., Grembecka, J., Cierpicki, T.
Deposit date:2012-08-21
Release date:2012-09-19
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GQ3
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HUMAN MENIN WITH BOUND INHIBITOR MI-2
Descriptor:Menin, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ...
Authors:Shi, A., Murai, M.J., He, S., Lund, G.L., Hartley, T., Purohit, T., Reddy, G., Chruszcz, M., Grembecka, J., Cierpicki, T.
Deposit date:2012-08-22
Release date:2012-09-19
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GQ4
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HUMAN MENIN WITH BOUND INHIBITOR MI-2-2
Descriptor:Menin, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, UNKNOWN ATOM OR ION, ...
Authors:Shi, A., Murai, M.J., He, S., Lund, G.L., Hartley, T., Purohit, T., Reddy, G., Chruszcz, M., Grembecka, J., Cierpicki, T.
Deposit date:2012-08-22
Release date:2012-09-19
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GQ6
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HUMAN MENIN IN COMPLEX WITH MLL PEPTIDE
Descriptor:Menin, Histone-lysine N-methyltransferase MLL, SULFATE ION, ...
Authors:Shi, A., Murai, M.J., He, S., Lund, G.L., Hartley, T., Purohit, T., Reddy, G., Chruszcz, M., Grembecka, J., Cierpicki, T.
Deposit date:2012-08-22
Release date:2012-09-19
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4OG3
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HUMAN MENIN WITH BOUND INHIBITOR MIV-3R
Descriptor:Menin, SULFATE ION, 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG4
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HUMAN MENIN WITH BOUND INHIBITOR MIV-3S
Descriptor:Menin, SULFATE ION, 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG5
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HUMAN MENIN WITH BOUND INHIBITOR MIV-5
Descriptor:Menin, 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, SULFATE ION, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG6
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HUMAN MENIN WITH BOUND INHIBITOR MIV-4
Descriptor:Menin, SULFATE ION, 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG7
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HUMAN MENIN WITH BOUND INHIBITOR MIV-7
Descriptor:Menin, SULFATE ION, 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG8
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HUMAN MENIN WITH BOUND INHIBITOR MIV-6R
Descriptor:Menin, TERT-BUTYL FORMATE, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, ...
Authors:He, S., Senter, T.J., Pollock, J.W., Han, C., Upadhyay, S.K., Purohit, T., Gogliotti, R.D., Lindsley, C.W., Cierpicki, T., Stauffer, S.R., Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4X5Y
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MENIN IN COMPLEX WITH MI-503
Descriptor:Menin, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J., Borkin, D., Cierpicki, T., Grembecka, J.
Deposit date:2014-12-06
Release date:2015-04-15
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
4X5Z
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MENIN IN COMPLEX WITH MI-136
Descriptor:Menin, SULFATE ION, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ...
Authors:Pollock, J., Borkin, D., Cierpicki, T., Grembecka, J.
Deposit date:2014-12-06
Release date:2015-04-15
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
5DB0
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MENIN IN COMPLEX WITH MI-352
Descriptor:Menin, TETRAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Pollock, J., Dmitry, B., Cierpicki, T., Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB1
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MENIN IN COMPLEX WITH MI-336
Descriptor:Menin, 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J., Dmitry, B., Cierpicki, T., Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB2
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MENIN IN COMPLEX WITH MI-389
Descriptor:Menin, 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}acetamide, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J., Dmitry, B., Cierpicki, T., Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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