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4YPM
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BU of 4ypm by Molmil
Crystal structure of a LonA protease domain in complex with bortezomib
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, Lon protease, ...
著者Lin, C.-C, Chang, C.-I.
登録日2015-03-13
公開日2016-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for the Magnesium-Dependent Activation and Hexamerization of the Lon AAA+ Protease
Structure, 24, 2016
3FBD
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BU of 3fbd by Molmil
Crystal structure of the nuclease domain of COLE7(D493Q mutant) in complex with an 18-BP duplex DNA
分子名称: 5'-D(*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DGP*DAP*DTP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*DC)-3', Colicin-E7
著者Wang, Y.T, Doudeva, L.G, Yuan, H.S.
登録日2008-11-19
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Redesign of high-affinity nonspecific nucleases with altered sequence preference
To be Published
7DA6
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BU of 7da6 by Molmil
Enterovirus 71 2A Protease mutant- C110A in complex with peptide inhibitor
分子名称: PHE-ARG-GLY-LYS, Polyprotein, ZINC ION
著者Yang, W.Z, Yuan, H.S.
登録日2020-10-15
公開日2021-08-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficient Strategy to Design Protease Inhibitors: Application to Enterovirus 71 2A Protease.
Acs Bio Med Chem Au, 2022
7FAD
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BU of 7fad by Molmil
Crystal structure of Xenopus GCP2-N terminal domain and Mzt2
分子名称: Gamma-tubulin complex component, Mitotic-spindle organizing protein 2B
著者Shankar, S, Huang, T.L, Hsia, K.C.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献A gamma-tubulin complex independent pathway could suppress ciliogenesis by promoting cilia disassembly
Cell Rep, 41, 2022
6E6N
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BU of 6e6n by Molmil
Pheromone from Euplotes raikovi, Er-13
分子名称: Pheromone from Euplotes raikovi Er-13
著者Finke, A.D, Marsh, M.E.
登録日2018-07-25
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.363 Å)
主引用文献Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data
To Be Published
6E6O
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BU of 6e6o by Molmil
Pheromone from Euplotes raikovi, Er-1
分子名称: Mating pheromone Er-1/Er-3
著者Finke, A.D, Marsh, M.E.
登録日2018-07-25
公開日2019-08-07
実験手法X-RAY DIFFRACTION (0.7 Å)
主引用文献Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data
To Be Published
8PJI
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BU of 8pji by Molmil
MLLT1 in complex with compound 10a
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
著者Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
登録日2023-06-23
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8PJ7
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BU of 8pj7 by Molmil
MLLT3 in complex with compound PFI-6
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
登録日2023-06-22
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
分子名称: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-18
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
分子名称: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-17
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
5KRE
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BU of 5kre by Molmil
Covalent inhibitor of LYPLAL1
分子名称: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION
著者Pandit, J.
登録日2016-07-07
公開日2016-07-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.
Acs Chem.Biol., 11, 2016
2V59
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BU of 2v59 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
分子名称: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V58
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BU of 2v58 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1
分子名称: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A
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BU of 2v5a by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
分子名称: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
7S15
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BU of 7s15 by Molmil
GLP-1 receptor bound with Pfizer small molecule agonist
分子名称: 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor
著者Liu, Y, Dias, J.M, Han, S.
登録日2021-09-01
公開日2022-06-08
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor.
J.Med.Chem., 65, 2022
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
1CY9
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BU of 1cy9 by Molmil
CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. MONOCLINIC FORM
分子名称: DNA TOPOISOMERASE I
著者Feinberg, H, Lima, C, Mondragon, A.
登録日1999-08-31
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational changes in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
1DDB
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BU of 1ddb by Molmil
STRUCTURE OF MOUSE BID, NMR, 20 STRUCTURES
分子名称: PROTEIN (BID)
著者Mcdonnell, J.M, Fushman, D, Milliman, C, Korsmeyer, S.J, Cowburn, D.
登録日1999-02-19
公開日1999-08-30
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the proapoptotic molecule BID: a structural basis for apoptotic agonists and antagonists.
Cell(Cambridge,Mass.), 96, 1999
2NSW
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BU of 2nsw by Molmil
NMR Solution Structure of the Pheromone En-2
分子名称: Mating pheromone En-2
著者Placzek, W.J, Etezady-Esfarjani, T, Herrmann, T, Peti, W, Wuthrich, K.
登録日2006-11-06
公開日2007-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR Solution Structures of the Pheromones En-1 and En-2 from the Antarctic Ciliated Protozoan Euplotes nobilii
To be Published
2NSV
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BU of 2nsv by Molmil
NMR Solution Structure of the Pheromone En-1
分子名称: Mating pheromone En-1
著者Placzek, W.J, Etezady-Esfarjani, T, Herrmann, T, Peti, W, Wuthrich, K.
登録日2006-11-06
公開日2007-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR Solution Structures of the Pheromones En-1 and En-2 from the Antarctic Ciliated Protozoan Euplotes Nobilii
To be Published
1CYY
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BU of 1cyy by Molmil
CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. HEXAGONAL FORM
分子名称: DNA TOPOISOMERASE I, ZINC ION
著者Feinberg, H, Lima, C, Mondragon, A.
登録日1999-08-31
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformational changes in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
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