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4HOY
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BU of 4hoy by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.78 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-10-23
公開日2012-11-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4JX9
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BU of 4jx9 by Molmil
Crystal structure of the complex of peptidyl t-RNA hydrolase from Acinetobacter baumannii with uridine at 1.4A resolution
分子名称: Peptidyl-tRNA hydrolase, URIDINE
著者Kaushik, S, Singh, N, Yamini, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-03-28
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4JWK
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BU of 4jwk by Molmil
Crystal structure of the complex of peptidyl-tRNA hydrolase from Acinetobacter baumannii with cytidine at 1.87 A resolution
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Peptidyl-tRNA hydrolase
著者Kaushik, S, Singh, N, Yamini, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-03-27
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4JY7
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BU of 4jy7 by Molmil
Crystal structure of Acinetobacter baumannii Peptidyl-tRNA Hydrolase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-03-29
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4IKO
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BU of 4iko by Molmil
Structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.90 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-12-27
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
3MZS
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BU of 3mzs by Molmil
Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ...
著者Stout, C.D, Annalora, A, Mast, N, Pikuleva, I.
登録日2010-05-12
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1.
J.Biol.Chem., 286, 2011
2VIF
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BU of 2vif by Molmil
Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide
分子名称: 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6
著者Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S.
登録日2007-11-30
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
3LCD
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BU of 3lcd by Molmil
Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R
分子名称: Macrophage colony-stimulating factor 1 receptor, N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine, SULFATE ION
著者Kamtekar, S, Day, J.E, Reitz, B.A, Mathis, K.J, Meyers, M.J.
登録日2010-01-10
公開日2010-03-02
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Bioorg.Med.Chem.Lett., 20, 2010
3LCO
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BU of 3lco by Molmil
Inhibitor Bound to A DFG-Out structure of the Kinase Domain of CSF-1R
分子名称: 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Kamtekar, S, Day, J.E, Reitz, B.A, Mathis, K.J, Meyers, M.J.
登録日2010-01-11
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
1XFC
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BU of 1xfc by Molmil
The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE
著者LeMagueres, P, Im, H, Ebalunode, J, Strych, U, Benedik, M.J, Briggs, J.M, Kohn, H, Krause, K.L.
登録日2004-09-14
公開日2005-08-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site.
Biochemistry, 44, 2005
4ESR
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BU of 4esr by Molmil
Molecular and Structural Characterization of the SH3 Domain of AHI-1 in Regulation of Cellular Resistance of BCR-ABL+ Chronic Myeloid Leukemia Cells to Tyrosine Kinase Inhibitors
分子名称: DI(HYDROXYETHYL)ETHER, Jouberin
著者Van Petegem, X.F, Liu, P.X, Lobo, P, Jiang, X.
登録日2012-04-23
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Molecular and structural characterization of the SH3 domain of AHI-1 in regulation of cellular resistance of BCR-ABL(+) chronic myeloid leukemia cells to tyrosine kinase inhibitors.
Proteomics, 12, 2012
7M1D
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BU of 7m1d by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
分子名称: Scorpine
著者del Rio-Portilla, F, Lopez-Giraldo, A.E.
登録日2021-03-12
公開日2022-01-19
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
7M1E
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BU of 7m1e by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
分子名称: Scorpine
著者del Rio, J.F, Lopez, A.E, Titaux, G.
登録日2021-03-12
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
8C25
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BU of 8c25 by Molmil
purine nucleoside phosphorylase in complex with JS-375
分子名称: CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-12-21
公開日2023-05-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
2LTJ
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BU of 2ltj by Molmil
Conformational analysis of StrH, the surface-attached exo- beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae
分子名称: Beta-N-acetylhexosaminidase
著者Pluvinage, B, Chitayat, S, Ficko-Blean, E, Abbott, D, Kunjachen, J, Grondin, J, Spencer, H, Smith, S, Boraston, A.
登録日2012-05-28
公開日2012-11-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational analysis of StrH, the surface-attached exo-beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae.
J.Mol.Biol., 425, 2013
4KBK
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BU of 4kbk by Molmil
CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
分子名称: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBA
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BU of 4kba by Molmil
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
分子名称: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KB8
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BU of 4kb8 by Molmil
CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
分子名称: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
2OZN
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BU of 2ozn by Molmil
The Cohesin-Dockerin Complex of NagJ and NagH from Clostridium perfringens
分子名称: CALCIUM ION, CHLORIDE ION, Hyalurononglucosaminidase, ...
著者Adams, J.J, Boraston, A, Smith, S.P.
登録日2007-02-26
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of Clostridium perfringens toxin complex formation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
3SJT
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BU of 3sjt by Molmil
Crystal structure of human arginase I in complex with the inhibitor Me-ABH, Resolution 1.60 A, twinned structure
分子名称: Arginase-1, MANGANESE (II) ION, [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate
著者Di Costanzo, L, Christianson, D.W.
登録日2011-06-21
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
2WVN
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BU of 2wvn by Molmil
Structure of the HET-s N-terminal domain
分子名称: SMALL S PROTEIN
著者Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R.
登録日2009-10-19
公開日2010-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The Mechanism of Prion Inhibition by Het-S.
Mol.Cell, 38, 2010
2WVQ
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BU of 2wvq by Molmil
Structure of the HET-s N-terminal domain. Mutant D23A, P33H
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SMALL S PROTEIN
著者Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R.
登録日2009-10-19
公開日2010-07-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The mechanism of prion inhibition by HET-S.
Mol. Cell, 38, 2010
2WVO
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BU of 2wvo by Molmil
Structure of the HET-S N-terminal domain
分子名称: CHLORIDE ION, SMALL S PROTEIN
著者Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R.
登録日2009-10-19
公開日2010-07-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Mechanism of Prion Inhibition by Het-S.
Mol.Cell, 38, 2010

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