Author results

1RGQ
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M9A HCV PROTEASE COMPLEX WITH PENTAPEPTIDE KETO-AMIDE INHIBITOR
Descriptor:NS3 Protease, NS4A peptide, ZINC ION, ...
Authors:Liu, Y., Stoll, V.S., Richardson, P.L., Saldivar, A., Klaus, J.L., Molla, A., Kohlbrenner, W., Kati, W.M.
Deposit date:2003-11-12
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure.
Arch.Biochem.Biophys., 421, 2004
2JOD
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PAC1-RSHORT N-TERMINAL EC DOMAIN PACAP(6-38) COMPLEX
Descriptor:Pituitary adenylate cyclase-activating polypeptide type I receptor, Pituitary adenylate cyclase-activating polypeptide
Authors:Olejniczak, E.T., Sun, C., Song, D., Davis-Taber, R.A., Barrett, L.W., Scott, V.E., Richardson, P.L., Pereda-lopez, A., Uchic, M.E., Solomon, L.R., Lake, M.R., Walter, K.A., Hajduk, P.J.
Deposit date:2007-03-07
Release date:2007-05-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3E8U
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CRYSTAL STRUCTURE AND THERMODYNAMIC ANALYSIS OF DIAGNOSTIC FAB 106.3 COMPLEXED WITH BNP 5-13 (C10A) REVEAL BASIS OF SELECTIVE MOLECULAR RECOGNITION
Descriptor:Fab 106.3 heavy chain, Fab 106.3 light chain, BNP peptide epitope
Authors:Longenecker, K.L., Ruan, Q., Fry, E.H., Saldana, S.S., Brophy, S.E., Richardson, P.L., Tetin, S.Y.
Deposit date:2008-08-20
Release date:2009-07-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and thermodynamic analysis of diagnostic mAb 106.3 complexed with BNP 5-13 (C10A).
Proteins, 76, 2009
2KP8
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LIGAND BOUND TO A MODEL PEPTIDE THAT MIMICS THE OPEN FUSOGENIC FORM
Descriptor:Model peptide, 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Authors:Olejniczak, E.T.
Deposit date:2009-10-09
Release date:2010-01-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 2009
2QF6
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HSP90 COMPLEXED WITH A56322
Descriptor:Heat shock protein HSP 90-alpha, 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Authors:Park, C.H.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QFO
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HSP90 COMPLEXED WITH A143571 AND A516383
Descriptor:Heat shock protein HSP 90-alpha, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one
Authors:Park, C.H.
Deposit date:2007-06-27
Release date:2008-07-01
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
CHEM.BIOL.DRUG DES., 70, 2007
2QG0
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HSP90 COMPLEXED WITH A943037
Descriptor:Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Authors:Park, C.H.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QG2
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HSP90 COMPLEXED WITH A917985
Descriptor:Heat shock protein HSP 90-alpha, 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE
Authors:Park, C.H.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
5U2M
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH A-1293201
Descriptor:Nicotinamide phosphoribosyltransferase, N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, SULFATE ION
Authors:Longenecker, K.L., Raich, D., Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U2N
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH A-1326133
Descriptor:Nicotinamide phosphoribosyltransferase, SULFATE ION, N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Authors:Longenecker, K.L., Raich, D., Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U69
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POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(2-METHOXYPHENYL)METHYL]-N,N-DIMETHYL-4-(1-METHYLINDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
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POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: 2-[4-(4-{(3S,4R)-4-(DIMETHYLAMINO)-1-[(2-FLUORO-6-METHYLPHENYL)METHYL]PYRROLIDIN-3-YL}PHENYL)-1H-PYRAZOL-1-YL]ACETAMIDE
Descriptor:Polycomb protein EED, 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8A
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POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(2-BROMO-6-FLUOROPHENYL)METHYL]-N,N-DIMETHYL-4-(1-METHYL-1H-INDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8F
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POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(1S)-7-FLUORO-2,3-DIHYDRO-1H-INDEN-1-YL]-N,N-DIMETHYL-4-(1-METHYL-1H-INDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5UPE
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH ISOINDOLINE UREA INHIBITOR COMPOUND 5
Descriptor:Nicotinamide phosphoribosyltransferase, N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide
Authors:Longenecker, K.L., Raich, D., Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5UPF
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH ISOINDOLINE UREA INHIBITOR COMPOUND 53
Descriptor:Nicotinamide phosphoribosyltransferase, 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide
Authors:Longenecker, K.L., Raich, D., Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
2GVF
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A MACROCYCLIC KETOAMIDE INHIBITOR, SCH419021
Descriptor:polyprotein, Polyprotein, ZINC ION, ...
Authors:Arasappan, A., Njoroge, F.G., Chen, K.X., Venkatraman, S., Parekh, T.N., Gu, H., Pichardo, J., Butkiewicz, N., Prongay, A., Madison, V., Girijavallabhan, V.
Deposit date:2006-05-02
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
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