Author results

6P9E
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CRYSTAL STRUCTURE OF IL-36GAMMA COMPLEXED TO A-552
分子名称:Interleukin-36 gamma, (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
著者Argiriadi, M.A., Todorovic, T., Su, Z., Putman, B., Kakavas, S.J., Salte, K.M., McDonald, H.A., Wetter, J.B., Paulsboe, S.E., Sun, Q., Gerstein, C.E., Medina, L., Sielaff, B., Sadhukhan, R., Stockmann, H., Richardson, P.L., Qiu, W., Henry, R.F., Herold, J.M., Shotwell, J.B., McGaraughty, S.P., Honore, P., Gopalakrishnan, S.M., Sun, C.C., Scott, V.E.
登録日2019-06-10
公開日2019-06-26
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
5U2M
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH A-1293201
分子名称:Nicotinamide phosphoribosyltransferase, N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, SULFATE ION
著者Longenecker, K.L., Raich, D., Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
分子名称:Nicotinamide phosphoribosyltransferase, SULFATE ION, N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
著者Longenecker, K.L., Raich, D., Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5UPE
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CRYSTAL STRUCTURE OF HUMAN NAMPT WITH ISOINDOLINE UREA INHIBITOR COMPOUND 5
分子名称:Nicotinamide phosphoribosyltransferase, N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide
著者Longenecker, K.L., Raich, D., Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称:Nicotinamide phosphoribosyltransferase, 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide
著者Longenecker, K.L., Raich, D., Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 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
分子名称:Polycomb protein EED, (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
著者Jakob, C.G., Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献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
分子名称: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
著者Jakob, C.G., Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献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
分子名称:Polycomb protein EED, (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
著者Jakob, C.G., Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: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
著者Jakob, C.G., Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献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
2KP8
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LIGAND BOUND TO A MODEL PEPTIDE THAT MIMICS THE OPEN FUSOGENIC FORM
分子名称:Model peptide, 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
著者Olejniczak, E.T.
登録日2009-10-09
公開日2010-01-19
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 2009
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
分子名称:Fab 106.3 heavy chain, Fab 106.3 light chain, BNP peptide epitope
著者Longenecker, K.L., Ruan, Q., Fry, E.H., Saldana, S.S., Brophy, S.E., Richardson, P.L., Tetin, S.Y.
登録日2008-08-20
公開日2009-07-07
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and thermodynamic analysis of diagnostic mAb 106.3 complexed with BNP 5-13 (C10A).
Proteins, 76, 2009
2QF6
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HSP90 COMPLEXED WITH A56322
分子名称:Heat shock protein HSP 90-alpha, 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE
著者Park, C.H.
登録日2007-06-26
公開日2008-07-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称:Heat shock protein HSP 90-alpha, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one
著者Park, C.H.
登録日2007-06-27
公開日2008-07-01
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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
分子名称:Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
著者Park, C.H.
登録日2007-06-28
公開日2008-07-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称:Heat shock protein HSP 90-alpha, 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE
著者Park, C.H.
登録日2007-06-28
公開日2008-07-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2JOD
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PAC1-RSHORT N-TERMINAL EC DOMAIN PACAP(6-38) COMPLEX
分子名称:Pituitary adenylate cyclase-activating polypeptide type I receptor, Pituitary adenylate cyclase-activating polypeptide
著者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.
登録日2007-03-07
公開日2007-05-22
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献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
2GVF
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A MACROCYCLIC KETOAMIDE INHIBITOR, SCH419021
分子名称:polyprotein, Polyprotein, ZINC ION, ...
著者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.
登録日2006-05-02
公開日2007-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
1RGQ
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M9A HCV PROTEASE COMPLEX WITH PENTAPEPTIDE KETO-AMIDE INHIBITOR
分子名称:NS3 Protease, NS4A peptide, ZINC ION, ...
著者Liu, Y., Stoll, V.S., Richardson, P.L., Saldivar, A., Klaus, J.L., Molla, A., Kohlbrenner, W., Kati, W.M.
登録日2003-11-12
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure.
Arch.Biochem.Biophys., 421, 2004