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PDB: 68 件

1RCY
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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
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
2GKO
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BU of 2gko by Molmil
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
4L7F
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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
2HK5
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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
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
2GHL
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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
5L03
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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
8FTG
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Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
著者Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
登録日2023-01-12
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
2ZNW
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Crystal Structure of ScFv10 in Complex with Hen Egg Lysozyme
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv10
著者DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S.
登録日2008-05-02
公開日2009-01-27
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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
4POU
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VHH-metal in Complex with RNase A
分子名称: Ribonuclease pancreatic, VHH Antibody
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-26
公開日2014-09-24
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4POY
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Engineered Dual Specific VHH antibody
分子名称: VHH-metal
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-26
公開日2014-09-24
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4PPT
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BU of 4ppt by Molmil
Engineered Dual Specific VHH Antibody in Complex with a Nickel (II) Ion
分子名称: Engineered single domain VHH antibody, NICKEL (II) ION, SULFATE ION
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-27
公開日2014-09-03
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
2ZNX
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5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv
著者DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S.
登録日2008-05-02
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
4OGU
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BU of 4ogu 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: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
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2014-01-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 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
4Q23
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The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E.
登録日2014-04-05
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
To be Published
4KPJ
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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
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
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
4N9U
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The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 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2013-10-21
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
4NKF
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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

 

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220113

件を2024-05-22に公開中

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