Author results

1CVI
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CRYSTAL STRUCTURE OF HUMAN PROSTATIC ACID PHOSPHATASE
分子名称:PROSTATIC ACID PHOSPHATASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
著者Jakob, C.G., Lewinski, K., Kuciel, R., Ostrowski, W., Lebioda, L.
登録日1999-08-23
公開日1999-08-31
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of human prostatic acid phosphatase .
Prostate, 42, 2000
4HJJ
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STRUCTURE REVEALS FUNCTION OF THE DUAL VARIABLE DOMAIN IMMUNOGLOBULIN (DVD-IG) MOLECULE
分子名称:Interleukin-18, Anti-IL12 Anti-IL18 DFab Heavy Chain, Anti-IL12 Anti-IL18 DFab Light Chain, ...
著者Jakob, C.G., Edalji, R., Judge, R.A., DiGiammarino, E., Li, Y., Gu, J., Ghayur, T.
登録日2012-10-12
公開日2013-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure reveals function of the dual variable domain immunoglobulin (DVD-Ig[TM]) molecule
MAbs, 5, 2013
4PGA
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GLUTAMINASE-ASPARAGINASE FROM PSEUDOMONAS 7A
分子名称:GLUTAMINASE-ASPARAGINASE, SULFATE ION, AMMONIUM ION
著者Jakob, C.G., Lewinski, K., Lacount, M.W., Roberts, J., Lebioda, L.
登録日1997-01-14
公開日1997-07-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ion binding induces closed conformation in Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA-SO4(2-)-NH4+ complex at 1.7 A resolution.
Biochemistry, 36, 1997
6BKX
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NOVEL MODES OF INHIBITION OF WILD-TYPE IDH1: DIRECT COVALENT MODIFICATION OF HIS315 WITH CMPD1
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, CALCIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BKY
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NOVEL BINDING MODES OF INHIBITION OF WILD-TYPE IDH1: ALLOSTERIC INHIBITION WITH CMPD2
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, ...
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BKZ
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NOVEL MODES OF INHIBITION OF WILD-TYPE IDH1: NON-EQUIVALENT ALLOSTERIC INHIBITION WITH CMPD3
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BL0
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NOVEL MODES OF INHIBITION OF WILD-TYPE IDH1:DIRECT COVALENT MODIFICATION OF HIS315 WITH CMPD11
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BL1
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NOVEL MODES OF INHIBITION OF WILD-TYPE IDH1: DIRECT COVALENT MODIFICATION OF HIS315 WITH CMPD13
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, ISOCITRIC ACID, (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, ...
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BL2
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NOVEL MODES OF INHIBITION OF WILD-TYPE IDH1: DIRECT COVALENT MODIFICATION OF HIS315 WITH CMPD15
分子名称:Isocitrate dehydrogenase [NADP] cytoplasmic, CALCIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G., Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
5CPR
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THE NOVEL SUV4-20 INHIBITOR A-196 VERIFIES A ROLE FOR EPIGENETICS IN GENOMIC INTEGRITY
分子名称:Histone-lysine N-methyltransferase SUV420H1, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者Jakob, C.G., Upadhyay, A.K., Sun, C.
登録日2015-07-21
公開日2017-01-25
最終更新日2017-02-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
5K0M
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TARGETING THE PRC2 COMPLEX THROUGH A NOVEL PROTEIN-PROTEIN INTERACTION INHIBITOR OF EED
分子名称:Polycomb protein EED, (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine
著者Jakob, C.G., Bigelow, L.J., Zhu, H., Sun, C.
登録日2016-05-17
公開日2017-01-25
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
5KJ2
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THE NOVEL P300/CBP INHIBITOR A-485 UNCOVERS A UNIQUE MECHANISM OF ACTION TO TARGET AR IN CASTRATE RESISTANT PROSTATE CANCER
分子名称:Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
著者Jakob, C.G., Qiu, W., Edalji, R.P., Sun, C.
登録日2016-06-17
公開日2017-09-27
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 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
6NCN
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FRAGMENT-BASED DISCOVERY OF AN APOE4 STABILIZER
分子名称:Apolipoprotein E, 1-(3-chlorophenyl)cyclobutane-1-carboximidamide
著者Jakob, C.G., Qiu, W.
登録日2018-12-11
公開日2019-04-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-based Discovery of an ApolipoproteinE4 (apoE4) Stabilizer.
J. Med. Chem., 2019
6NCO
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FRAGMENT-BASED DISCOVERY OF AN APOE4 STABILIZER
分子名称:Apolipoprotein E, 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
著者Jakob, C.G., Qiu, W.
登録日2018-12-11
公開日2019-04-17
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Fragment-based Discovery of an ApolipoproteinE4 (apoE4) Stabilizer.
J. Med. Chem., 2019
1RRI
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3] TRIAZOLO [4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-08
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRW
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DHNA COMPLEXED WITH 9-METHYLGUANINE
分子名称:Dihydroneopterin aldolase, 9-METHYLGUANINE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRY
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DHNA COMPLEXED WITH 2-AMINO-4-HYDROXY-5-CARBOXYETHYLPYRIMIDINE
分子名称:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS2
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DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
分子名称:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS4
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DHNA, 7,8-DIHYDRONEOPTERIN ALDOLASE COMPLEXED WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSD
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
分子名称:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSI
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DHNA COMPLEX WITH 2-AMINO-5-BROMO-3-HYDROXY-6-PHENYLPYRIMIDINE
分子名称:Dihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
著者Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
登録日2003-12-09
公開日2004-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
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