Author results

2F7Z
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PROTEIN KINASE A BOUND TO (R)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
著者Li, Q., Woods, K.W., Thomas, S., Zhu, G.D., Packard, G., Fisher, J., Li, T., Gong, J., Dinges, J., Song, X., Abrams, J., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Des Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
登録日2005-12-01
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2UZT
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PKA STRUCTURES OF AKT, INDAZOLE-PYRIDINE INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2F7X
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PROTEIN KINASE A BOUND TO (S)-2-(1H-INDOL-3-YL)-1-[5-((E)-2-PYRIDIN-4-YL-VINYL)-PYRIDIN-3-YLOXYMETHYL]-ETHYLAMINE
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
著者Li, Q., Li, T., Zhu, G.D., Gong, J., Claibone, A., Dalton, C., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Bauch, J.L., Marsh, K.C., Bouska, J.J., Arries, S., De Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
登録日2005-12-01
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
2K8P
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CHARACTERISATION OF THE STRUCTURAL FEATURES AND INTERACTIONS OF SCLEROSTIN: MOLECULAR INSIGHT INTO A KEY REGULATOR OF WNT-MEDIATED BONE FORMATION
分子名称:Sclerostin
著者Veverka, V., Henry, A.J., Slocombe, P.M., Ventom, A., Mulloy, B., Muskett, F.W., Muzylak, M., Greenslade, K., Moore, A., Zhang, L., Gong, J., Qian, X., Paszty, C., Taylor, R.J., Robinson, M.K., Carr, M.D.
登録日2008-09-18
公開日2009-02-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
3TGV
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CRYSTAL STRUCTURE OF HUTZ,THE HEME STORSGE PROTEIN FROM VIBRIO CHOLERAE
分子名称:Heme-binding protein HutZ, BENZOIC ACID
著者Liu, X., Gong, J., Wang, Z., Du, Q., Wei, T., Zhu, D., Huang, Y., Xu, S., Gu, L.
登録日2011-08-17
公開日2012-08-22
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structure of HutZ,the heme storsge protein from Vibrio cholerae
To be Published
2F7E
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PKA COMPLEXED WITH (S)-2-(1H-INDOL-3-YL)-1-(5-ISOQUINOLIN-6-YL-PYRIDIN-3-YLOXYMETHYL-ETYLAMINE
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI inhibitory peptide, ...
著者Stoll, V.S.
登録日2005-11-30
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
4IKG
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CRYSTAL STRUCTURE OF CELL DEATH-INDUCING DFFA-LIKE EFFECTOR C
分子名称:Cell death activator CIDE-3, IODIDE ION
著者Yang, M., Gao, J.
登録日2012-12-26
公開日2014-06-04
実験手法X-RAY DIFFRACTION (1.9318 Å)
主引用文献Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
6O6F
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6G
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQB
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CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 10
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQD
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CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 8
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQN
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CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 7
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OVC
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HMCL1 INHIBITOR COMPLEX
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
著者Poppe, L.
登録日2019-05-07
公開日2019-05-22
実験手法SOLUTION NMR
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
1U6Q
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SUBSTITUTED 2-NAPHTHAMADINE INHIBITORS OF UROKINASE
分子名称:Urokinase-type plasminogen activator, TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE
著者Bruncko, M., McClellan, W., Wendt, M.D., Sauer, D.R., Geyer, A., Dalton, C.R., Kaminski, M.K., Nienaber, V.L., Rockway, T.R., Giranda, V.L.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
2GHG
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H-CHK1 COMPLEXED WITH A431994
分子名称:Serine/threonine-protein kinase Chk1, 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE
著者Park, C.
登録日2006-03-27
公開日2007-03-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.
Bioorg.Med.Chem.Lett., 16, 2006
6JKV
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PPPA, A KEY REGULATORY COMPONENT OF T6SS IN PSEUDOMONAS AERUGINOSA
分子名称:PppA, MANGANESE (II) ION
著者Wang, T., Liu, L., Wu, Y., Li, D.
登録日2019-03-02
公開日2019-06-26
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
2OH0
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
著者Stoll, V.S.
登録日2007-01-09
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2OJF
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CRYSTAL STRUCTURE OF PROTEIN KINASE A IN COMPLEX WITH PYRIDINE-PYRAZOLOPYRIDINE BASED INHIBITORS
分子名称:cAMP-dependent protein kinase, alpha-catalytic subunit, Inhibitory peptide, ...
著者Stoll, V.S.
登録日2007-01-12
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
3L3M
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PARP COMPLEXED WITH A927929
分子名称:Poly [ADP-ribose] polymerase 1, 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
著者Park, C.H.
登録日2009-12-17
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.
J.Med.Chem., 53, 2010
5KSI
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CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN IN COMPLEX WITH SPHINGOSINE PHOSPHATE AND 2,3-BISPHOSPHOGLYCERATE
分子名称:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ahmed, M.H., Safo, M.K., Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
5KSJ
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CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN IN COMPLEX WITH SPHINGOSINE PHOSPHATE
分子名称:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ahmed, M.H., Safo, M.K., Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
1ZP5
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A N-HYDROXYUREA INHIBITOR
分子名称:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
著者Campestre, C., Agamennone, M., Tortorella, P., Preziuso, S., Biasone, A., Gavuzzo, E., Pochetti, G., Mazza, F., Tschesche, H., Gallina, C.
登録日2005-05-16
公開日2005-12-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006