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4O0H
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Crystal structure of human L-asparaginase protein with covalently linked substrate L-asparagine
分子名称: BETA-L-ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0F
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Crystal structure of the human L-asparaginase protein T219A mutant
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
5ADI
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BU of 5adi by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5EN4
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BU of 5en4 by Molmil
Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor.
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2015-11-09
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
2K7J
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Human Acylphosphatase(AcPh) surface charge-optimized
分子名称: Acylphosphatase-1
著者Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I.
登録日2008-08-12
公開日2009-02-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
5ADG
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BU of 5adg by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5VBQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain testis-specific protein, ...
著者EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-30
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
2JX3
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BU of 2jx3 by Molmil
NMR solution structure of the N-terminal domain of DEK
分子名称: Protein DEK
著者Matsuo, H, Devany, M.
登録日2007-11-02
公開日2008-02-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the N-terminal domain of the human DEK protein
Protein Sci., 17, 2008
5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5A86
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BU of 5a86 by Molmil
Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist
分子名称: 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, NUCLEAR RECEPTOR COACTIVATOR 1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2
著者Xue, Y, Oster, L.
登録日2015-07-13
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.
J.Med.Chem., 58, 2015
2V2W
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BU of 2v2w by Molmil
T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT
分子名称: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Lee, J.K, Stewart-Jones, G, Dong, T, Harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, Van Der Merwe, P.A, Jones, E.Y, Mcmichael, A.J.
登録日2007-06-07
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
2V2X
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T cell cross-reactivity and conformational changes during TCR engagement.
分子名称: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J.
登録日2007-06-07
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
分子名称: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2007-09-18
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2UWE
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BU of 2uwe by Molmil
Large CDR3a loop alteration as a function of MHC mutation
分子名称: AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ...
著者Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J.
登録日2007-03-20
公開日2007-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
2K7K
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BU of 2k7k by Molmil
Human Acylphosphatase (AcPh) common type
分子名称: Acylphosphatase-1
著者Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I.
登録日2008-08-13
公開日2009-02-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
2V8C
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BU of 2v8c by Molmil
Mouse Profilin IIa in complex with the proline-rich domain of VASP
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ...
著者Kursula, P, Downer, J, Witke, W, Wilmanns, M.
登録日2007-08-06
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
2O36
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Crystal structure of engineered thimet oligopeptidase with neurolysin specificity in neurotensin cleavage site
分子名称: Thimet oligopeptidase, ZINC ION
著者Rodgers, D.W, Lim, E.J.
登録日2006-11-30
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
2DW4
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Crystal structure of human LSD1 at 2.3 A resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
著者Sengoku, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-02
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
2MB0
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BU of 2mb0 by Molmil
Solution structure of hnRNP G RRM in complex with the RNA 5'-AUCAAA-3'
分子名称: RNA-binding motif protein, X chromosome, RNA_(5'-R(*AP*UP*CP*AP*AP*A)-3')
著者Moursy, A, Allain, F.H.-T, Clery, A.
登録日2013-07-22
公開日2014-04-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation.
Nucleic Acids Res., 42, 2014
2EJR
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LSD1-tranylcypromine complex
分子名称: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
著者Sengoku, T, Mimasu, S, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-20
公開日2008-01-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
6YQF
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Crystal structure of the SYCE2-TEX12 delta-Ctip complex in a 4:4 assembly
分子名称: Synaptonemal complex central element protein 2, Testis-expressed protein 12
著者Dunce, J.M, Davies, O.R.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structural basis of meiotic chromosome synaptic elongation through hierarchical fibrous assembly of SYCE2-TEX12.
Nat.Struct.Mol.Biol., 28, 2021
5OR8
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Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
著者Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
3SG3
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Crystal Structure of GCaMP3-D380Y
分子名称: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
著者Schreiter, E.R, Akerboom, J, Looger, L.L.
登録日2011-06-14
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of a GCaMP calcium indicator for neural activity imaging.
J.Neurosci., 32, 2012
3SG2
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Crystal Structure of GCaMP2-T116V,D381Y
分子名称: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
著者Schreiter, E.R, Akerboom, J, Looger, L.L.
登録日2011-06-14
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of a GCaMP calcium indicator for neural activity imaging.
J.Neurosci., 32, 2012

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