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6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-06
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
2K3K
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BU of 2k3k by Molmil
Solution structure of Drosophila melanogaster SNF RBD1
分子名称: U1 small nuclear ribonucleoprotein A
著者Liu, C, Cui, G, Hu, J, Jin, C, Xia, B.
登録日2008-05-12
公開日2008-06-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and Functional Studies of RNA Splicing Factor Sans-Fille by Multidimentional NMR Spectroscopy
To be Published
5IXY
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BU of 5ixy by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
分子名称: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chen, Z, Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
5IXS
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BU of 5ixs by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Ultsch, M, Eigenbrot, C.
登録日2016-03-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
2Q2Z
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BU of 2q2z by Molmil
Crystal Structure of KSP in Complex with Inhibitor 22
分子名称: 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2007-05-29
公開日2007-09-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
2Q2Y
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BU of 2q2y by Molmil
Crystal Structure of KSP in complex with Inhibitor 1
分子名称: 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2007-05-29
公開日2007-09-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
3K6B
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BU of 3k6b by Molmil
X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS)
分子名称: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Beta-amyloid-like protein
著者Hoopes, J.T, Ha, Y.
登録日2009-10-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site
J.Biol.Chem., 285, 2010
3K66
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BU of 3k66 by Molmil
X-ray crystal structure of the E2 domain of C. elegans APL-1
分子名称: Beta-amyloid-like protein
著者Hoopes, J.T, Ha, Y.
登録日2009-10-08
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site
J.Biol.Chem., 285, 2010
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
分子名称: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
分子名称: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者D'Angelo, N, Bellon, S, Whittington, D.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7CE2
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BU of 7ce2 by Molmil
The Crystal structure of TeNT Hc complexed with neutralizing antibody
分子名称: Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain
著者Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H.
登録日2020-06-21
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.
Cell Rep, 35, 2021
5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Bao, R, He, L.H, Liu, B.
登録日2017-09-21
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
分子名称: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5ZTL
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BU of 5ztl by Molmil
Non-cryogenic structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, S.Y, Liu, H, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
5ZTK
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BU of 5ztk by Molmil
Synchrotron structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, J.H, Park, S.Y, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
3CJO
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BU of 3cjo by Molmil
Crystal structure of KSP in complex with inhibitor 30
分子名称: (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2008-03-13
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.
J.Med.Chem., 51, 2008
3FT0
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BU of 3ft0 by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAAM), chemically reduced
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2009-01-12
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FSW
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BU of 3fsw by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAM)
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2009-01-12
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FSZ
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Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAAM)
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2009-01-12
公開日2009-03-10
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FSA
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BU of 3fsa by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM); chemically reduced.
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2009-01-09
公開日2009-03-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FS9
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Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM)
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2009-01-09
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009

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