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PDB: 54 件
2GKO
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S41 Psychrophilic Protease
分子名称: CALCIUM ION, SODIUM ION, microbial serine proteinases; subtilisin, ...
著者Walter, R.L, Mekel, M.J, Grayling, R.A, Arnold, F.H, Wintrode, P.L, Almog, O.
登録日2006-04-03
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state.
Proteins, 74, 2009
2GTN
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Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717
分子名称: 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.
登録日2006-04-28
公開日2006-07-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
2GTM
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Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579
分子名称: 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.
登録日2006-04-28
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
2HK5
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BU of 2hk5 by Molmil
Hck Kinase in Complex with Lck targetted Inhibitor PG-1009247
分子名称: 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL, Tyrosine-protein kinase HCK
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.P.
登録日2006-07-03
公開日2006-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The development of 2-benzimidazole substituted pyrimidine based inhibitors of lymphocyte specific kinase (Lck).
Bioorg.Med.Chem.Lett., 16, 2006
1RCY
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BU of 1rcy by Molmil
RUSTICYANIN (RC) FROM THIOBACILLUS FERROOXIDANS
分子名称: COPPER (II) ION, RUSTICYANIN
著者Walter, R.L, Friedman, A.M, Ealick, S.E, Blake II, R.C, Proctor, P, Shoham, M.
登録日1996-04-10
公開日1997-05-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multiple wavelength anomalous diffraction (MAD) crystal structure of rusticyanin: a highly oxidizing cupredoxin with extreme acid stability.
J.Mol.Biol., 263, 1996
4L7F
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BU of 4l7f by Molmil
Co-crystal Structure of JNK1 and AX13587
分子名称: Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
著者Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R.
登録日2013-06-13
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2GHL
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BU of 2ghl by Molmil
Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
分子名称: 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A.
登録日2006-03-27
公開日2006-04-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
2GHM
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Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449
分子名称: 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A.
登録日2006-03-27
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
3SD0
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BU of 3sd0 by Molmil
Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
分子名称: 3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycogen synthase kinase-3 beta
著者Mesecar, A.M, Walters, R.L.
登録日2011-06-08
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
To be Published
5L03
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BU of 5l03 by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION
著者Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-26
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate
To Be Published
5L12
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Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-28
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.716 Å)
主引用文献Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
4KPJ
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BU of 4kpj by Molmil
Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
分子名称: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
4KQU
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Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl pyrophosphate synthase, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-15
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
To be Published
4KFA
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Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
分子名称: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-04-26
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
4KPD
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Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
登録日2013-05-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of Human Farnesyl Pyrophosphate Synthase (Y204F) Mutant Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate
To be Published
2I3R
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BU of 2i3r by Molmil
Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta
分子名称: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta
著者Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
登録日2006-08-20
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
2I3U
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BU of 2i3u by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
分子名称: Receptor-type tyrosine-protein phosphatase beta
著者Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
登録日2006-08-20
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
2I4E
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BU of 2i4e by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
分子名称: Receptor-type tyrosine-protein phosphatase beta, VANADATE ION
著者Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
登録日2006-08-21
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
2I4G
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BU of 2i4g by Molmil
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment)
分子名称: CHLORIDE ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, Receptor-type tyrosine-protein phosphatase beta
著者Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
登録日2006-08-21
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
2I5X
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BU of 2i5x by Molmil
Engineering the PTPbeta catalytic domain with improved crystallization properties
分子名称: (4-ETHYLPHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Klopfenstein, S.
登録日2006-08-26
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
1YWR
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BU of 1ywr by Molmil
Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor
分子名称: 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14
著者Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J.
登録日2005-02-18
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
1YW2
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BU of 1yw2 by Molmil
Mutated Mus Musculus P38 Kinase (mP38)
分子名称: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14
著者Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J.
登録日2005-02-16
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
4NKF
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BU of 4nkf by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ...
著者Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
登録日2013-11-12
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
4NG6
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BU of 4ng6 by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E.
登録日2013-11-01
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
TO BE PUBLISHED
4NKE
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BU of 4nke by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
著者Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
登録日2013-11-12
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published

 

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