Author results

1NSG
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THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP
分子名称:FK506-BINDING PROTEIN, FKBP-RAPAMYCIN ASSOCIATED PROTEIN (FRAP), C49-METHYL RAPAMYCIN
著者Liang, J., Choi, J., Clardy, J.
登録日1997-07-01
公開日1998-03-18
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
2FAP
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THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)-ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA
分子名称:FK506-BINDING PROTEIN, FRAP, C49-METHYL RAPAMYCIN
著者Liang, J., Choi, J., Clardy, J.
登録日1998-09-22
公開日1999-05-18
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
4GVJ
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TYK2 (JH1) IN COMPLEX WITH ADENOSINE DI-PHOSPHATE
分子名称:Non-receptor tyrosine-protein kinase TYK2, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Liang, J., Abbema, A.V., Bao, L., Barrett, K., Beresini, M., Berezhkovskiy, L., Blair, W., Chang, C., Driscoll, J., Eigenbrot, C., Ghilardi, N., Gibbons, P., Halladay, J., Johnson, A., Kohli, P.B., Lai, Y., Liimatta, M., Mantik, P., Menghrajani, K., Murray, J., Sambrone, A., Shao, Y., Shia, S., Shin, Y., Smith, J., Sohn, S., Stanley, M., Tsui, V., Ultsch, M., Wu, L., Zhang, B., Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
1CMI
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STRUCTURE OF THE HUMAN PIN/LC8 DIMER WITH A BOUND PEPTIDE
分子名称:PROTEIN INHIBITOR OF NEURONAL NITRIC OXIDE SYNTHASE, Nitric oxide synthase, brain
著者Liang, J., Guo, W., Jaffery, S., Snyder, S., Clardy, J.
登録日1999-05-06
公開日2000-02-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the PIN/LC8 dimer with a bound peptide.
Nat.Struct.Biol., 6, 1999
1PBK
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HOMOLOGOUS DOMAIN OF HUMAN FKBP25
分子名称:FKBP25, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Liang, J., Hung, D.T., Schreiber, S.L., Clardy, J.
登録日1995-09-01
公開日1996-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the human 25 kDa FK506 binding protein complexed with rapamycin.
J.Am.Chem.Soc., 118, 1996
1PHT
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PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN, RESIDUES 1-85
分子名称:PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT
著者Liang, J., Chen, J.K., Schreiber, S.L., Clardy, J.
登録日1995-08-17
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of P13K SH3 domain at 20 angstroms resolution.
J.Mol.Biol., 257, 1996
3FAP
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ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP
分子名称:FK506-BINDING PROTEIN, FKBP12-RAPAMYCIN ASSOCIATED PROTEIN, C15-(R)-METHYLTHIENYL RAPAMYCIN
著者Liang, J., Clardy, J.
登録日1999-05-06
公開日2000-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
4FAP
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ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP
分子名称:FK506-BINDING PROTEIN, FKBP12-RAPAMYCIN ASSOCIATED PROTEIN, C15-(R)-METHYLTHIENYL RAPAMYCIN
著者Liang, J., Clardy, J.
登録日1999-05-06
公開日2000-09-13
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
5V9P
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CRYSTAL STRUCTURE OF PYRROLIDINE AMIDE INHIBITOR [(3S)-3-(4-BROMO-1H-PYRAZOL-1-YL)PYRROLIDIN-1-YL][3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]METHANONE (COMPOUND 35) IN COMPLEX WITH KDM5A
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5V9T
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CRYSTAL STRUCTURE OF SELECTIVE PYRROLIDINE AMIDE KDM5A INHIBITOR N-{(3R)-1-[3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBONYL]PYRROLIDIN-3-YL}CYCLOPROPANECARBOXAMIDE (COMPOUND 48)
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6DDT
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MOUSE BETA-MANNOSIDASE (MANBA)
分子名称:Beta-mannosidase, CALCIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Gytz, H., Liang, J., Liang, Y., Gorelik, A., Illes, K., Nagar, B.
登録日2018-05-10
公開日2019-01-09
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
6DDU
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MOUSE BETA-MANNOSIDASE BOUND TO BETA-D-MANNOSE (MANBA)
分子名称:Beta-mannosidase, CALCIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Gytz, H., Liang, J., Liang, Y., Gorelik, A., Illes, K., Nagar, B.
登録日2018-05-10
公開日2019-01-09
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (2.668 Å)
主引用文献The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
6PET
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CRYSTAL STRUCTURE OF 8-HYDROXYCHROMENE COMPOUND 30 BOUND TO ESTROGEN RECEPTOR ALPHA
分子名称:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, ...
著者Kiefer, J.R., Vinogradova, M., Liang, J., Wang, X., Zbieg, J., Labadie, S.S., Zhang, B., Li, J., Liang, W.
登録日2019-06-20
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019
1FKG
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DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12
分子名称:FK506 BINDING PROTEIN, 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
著者Holt, D.A., Luengo, J.I., Yamashita, D.S., Oh, H.-J., Konialian, A.L., Yen, H.-K., Rozamus, L.W., Brandt, M., Bossard, M.J., Levy, M.A., Eggleston, D.S., Stout, T.J., Liang, J., Schultz, L.W., Clardy, J.
登録日1993-08-05
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS AND THE X-RAY CRYSTAL-STRUCTURES OF THEIR COMPLEXES WITH FKBP12.
J.Am.Chem.Soc., 115, 1993
1FKH
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DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12
分子名称:FK506 BINDING PROTEIN, 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
著者Holt, D.A., Luengo, J.I., Yamashita, D.S., Oh, H.-J., Konialian, A.L., Yen, H.-K., Rozamus, L.W., Brandt, M., Bossard, M.J., Levy, M.A., Eggleston, D.S., Stout, T.J., Liang, J., Schultz, L.W., Clardy, J.
登録日1993-08-05
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS AND THE X-RAY CRYSTAL-STRUCTURES OF THEIR COMPLEXES WITH FKBP12.
J.Am.Chem.Soc., 115, 1993
1FKI
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DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12
分子名称:FK506 BINDING PROTEIN, (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE
著者Holt, D.A., Luengo, J.I., Yamashita, D.S., Oh, H.-J., Konialian, A.L., Yen, H.-K., Rozamus, L.W., Brandt, M., Bossard, M.J., Levy, M.A., Eggleston, D.S., Stout, T.J., Liang, J., Schultz, L.W., Clardy, J.
登録日1993-08-05
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS AND THE X-RAY CRYSTAL-STRUCTURES OF THEIR COMPLEXES WITH FKBP12.
J.Am.Chem.Soc., 115, 1993
4NNR
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FKBP13-FK506 COMPLEX
分子名称:Peptidyl-prolyl cis-trans isomerase FKBP2, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
著者Schultz, L.W., Martin, P.K., Liang, J., Schreiber, S.L., Clardy, J.
登録日2013-11-18
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Atomic structure of the Immunophilin FKBP13-FK506 Complex: Insights into the Composite Binding Surface for Calcineurin
J.Am.Chem.Soc., 116, 1994
6DF6
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH RECEPTOR DEGRADER 16AB
分子名称:Estrogen receptor, (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, GLYCEROL
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
登録日2018-05-14
公開日2019-02-20
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6DFN
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH RECEPTOR DEGRADER 16AA
分子名称:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, NICKEL (II) ION, ...
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
登録日2018-05-15
公開日2019-02-20
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6JRL
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CRYSTAL STRUCTURE OF DROSOPHILA ALPHA METHYLDOPA-RESISTANT PROTEIN/3,4-DIHYDROXYPHENYLACETALDEHYDE SYNTHASE
分子名称:3,4-dihydroxyphenylacetaldehyde synthase
著者Wei, S., Vavrick, C.J., Guan, H., Liao, C., Robinson, H., Liang, J., Wang, D., Han, Q., Li, J.
登録日2019-04-04
公開日2019-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the bifunctional mechanism of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
To Be Published
6PFM
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CRYSTAL STRUCTURE OF GDC-0927 BOUND TO ESTROGEN RECEPTOR ALPHA
分子名称:Estrogen receptor, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Wang, X., Zbieg, J.R., Labadie, S.S., Li, J., Ray, N.C., Ortwine, D.
登録日2019-06-21
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019
1ZRR
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RESIDUAL DIPOLAR COUPLING REFINEMENT OF ACIREDUCTONE DIOXYGENASE FROM KLEBSIELLA
分子名称:E-2/E-2' protein, NICKEL (II) ION
著者Pochapsky, T.C., Pochapsky, S.S., Ju, T., Hoefler, C., Liang, J.
登録日2005-05-19
公開日2005-12-06
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献A refined model for the structure of acireductone dioxygenase from Klebsiella ATCC 8724 incorporating residual dipolar couplings
J.Biomol.NMR, 34, 2006
6O3C
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CRYSTAL STRUCTURE OF ACTIVE SMOOTHENED BOUND TO SAG21K, CHOLESTEROL, AND NBSMO8
分子名称:Smoothened homolog, NbSmo8, PHOSPHATE ION, ...
著者Deshpande, I.S., Liang, J., Hedeen, D., Roberts, K.J., Zhang, Y., Ha, B., Latorraca, N.R., Faust, B., Dror, R.O., Beachy, P.A., Myers, B.R., Manglik, A.
登録日2019-02-26
公開日2019-07-03
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 2019
4GII
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TYK2 (JH1) IN COMPLEX WITH 2,6-DICHLORO-4-CYANO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称:Non-receptor tyrosine-protein kinase TYK2, 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GJ2
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TYK2 (JH1) IN COMPLEX WITH 2,6-DICHLORO-N-[2-({[(1R,2R)-2-FLUOROCYCLOPROPYL]CARBONYL}AMINO)PYRIDIN-4-YL]BENZAMIDE
分子名称:Non-receptor tyrosine-protein kinase TYK2, 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
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