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6SAB
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BU of 6sab by Molmil
M-BUTX-Ptr1a (Parabuthus transvaalicus)
分子名称: M-BUTX-Ptr1a
著者Meudal, H, Landon, C, Delmas, A.F.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists.
J.Med.Chem., 63, 2020
5B5J
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BU of 5b5j by Molmil
Hen egg white lysozyme with boron tracedrug UTX-97
分子名称: 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION
著者Morimoto, Y.
登録日2016-05-11
公開日2017-06-28
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution.
J Pharm Sci, 105, 2016
3AVR
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BU of 3avr by Molmil
Catalytic fragment of UTX/KDM6A bound with histone H3K27me3 peptide, N-oxyalylglycine, and Ni(II)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Histone H3, ...
著者Sengoku, T, Yokoyama, S.
登録日2011-03-07
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structural basis for histone H3 Lys 27 demethylation by UTX/KDM6A
Genes Dev., 25, 2011
3AVS
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BU of 3avs by Molmil
Catalytic fragment of UTX/KDM6A bound with N-oxyalylglycine, and Ni(II)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 6A, ...
著者Sengoku, T, Yokoyama, S.
登録日2011-03-07
公開日2011-10-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for histone H3 Lys 27 demethylation by UTX/KDM6A
Genes Dev., 25, 2011
5EXV
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BU of 5exv by Molmil
Crystal structure of heme binding protein HutX from Vibrio cholerae
分子名称: Hemin-degrading HemS.ChuX domain protein
著者Sekine, Y, Tanaka, Y, Uchida, T.
登録日2015-11-24
公開日2016-07-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Cytoplasmic Heme-Binding Protein (HutX) from Vibrio cholerae Is an Intracellular Heme Transport Protein for the Heme-Degrading Enzyme, HutZ
Biochemistry, 55, 2016
1WT7
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BU of 1wt7 by Molmil
Solution structure of BuTX-MTX: a butantoxin-maurotoxin chimera
分子名称: BuTX-MTX
著者M'Barek, S, Chagot, B, Andreotti, N, Visan, V, Mansuelle, P, Grissmer, S, Marrakchi, M, El Ayeb, M, Sampieri, F, Darbon, H, Fajloun, Z, De Waard, M, Sabatier, J.-M.
登録日2004-11-16
公開日2004-11-30
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Increasing the molecular contacts between maurotoxin and Kv1.2 channel augments ligand affinity.
Proteins, 60, 2005
6G8F
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BU of 6g8f by Molmil
Crystal structure of UTX complexed with GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-04-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
6FUK
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BU of 6fuk by Molmil
Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-02-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
6FUL
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BU of 6ful by Molmil
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
分子名称: 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-02-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
3UTX
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BU of 3utx by Molmil
Crystal structure of bacteriorhodopsin mutant T46A
分子名称: Bacteriorhodopsin, DODECANE, RETINAL
著者Cao, Z, Bowie, J.U.
登録日2011-11-27
公開日2012-05-09
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
8UTX
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BU of 8utx by Molmil
Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap
分子名称: 1,3,5-tris(bromomethyl)benzene, TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide
著者Mi, T.X, Burgess, K.
登録日2023-10-31
公開日2024-06-05
実験手法SOLUTION NMR
主引用文献Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs).
Nat Commun, 15, 2024
5UTX
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BU of 5utx by Molmil
Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 - apo form
分子名称: PHOSPHATE ION, Thioredoxin reductase
著者Chang, C, Grimshaw, S, Maltseva, N, Mulligan, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-15
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 - apo form
To Be Published
6UTX
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BU of 6utx by Molmil
E. coli sigma-S transcription initiation complex with an empty bubble ("Old" crystal)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuo, Y, De, S, Steitz, T.A.
登録日2019-10-30
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.05 Å)
主引用文献Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
4UTX
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BU of 4utx by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-23
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
1UTX
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BU of 1utx by Molmil
Regulation of Cytolysin Expression by Enterococcus faecalis: Role of CylR2
分子名称: CYLR2, IODIDE ION, SODIUM ION
著者Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M.
登録日2003-12-12
公開日2004-09-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and DNA-Binding Properties of the Cytolysin Regulator CylR2 from Enterococcus Faecalis
Embo J., 23, 2004
2GZU
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BU of 2gzu by Molmil
High-resolution structure determination of the CylR2 homodimer using intermonomer distances from paramagnetic relaxation enhancement and NMR dipolar couplings
分子名称: cytolysin regulator 2
著者Rumpel, S, Becker, S, Zweckstetter, M.
登録日2006-05-12
公開日2007-04-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献High-resolution structure determination of the CylR2 homodimer using paramagnetic relaxation enhancement and structure-based prediction of molecular alignment
J.Biomol.Nmr, 40, 2008
2XIU
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BU of 2xiu by Molmil
High resolution structure of MTSL-tagged CylR2.
分子名称: CYLR2, GLYCEROL, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
登録日2010-07-01
公開日2011-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
2XJ3
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BU of 2xj3 by Molmil
High resolution structure of the T55C mutant of CylR2.
分子名称: CYLR2 SYNONYM CYTOLYSIN REPRESSOR 2, GLYCEROL
著者Gruene, T, Cho, M.K, Karyagina, I, Kim, H.Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
登録日2010-07-02
公開日2011-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
2XI8
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BU of 2xi8 by Molmil
High resolution structure of native CylR2
分子名称: GLYCEROL, PUTATIVE TRANSCRIPTION REGULATOR
著者Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
登録日2010-06-28
公開日2011-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
2LYQ
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BU of 2lyq by Molmil
NOE-based 3D structure of the monomeric intermediate of CylR2 at 262K (-11 Celsius degrees)
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYL
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BU of 2lyl by Molmil
NOE-based 3D structure of the predissociated homodimer of CylR2 in equilibrium with monomer at 266K (-7 Celsius degrees)
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYS
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BU of 2lys by Molmil
NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees)
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYR
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BU of 2lyr by Molmil
NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 259K (-14 Celsius degrees)
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYP
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BU of 2lyp by Molmil
NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees)
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYJ
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NOE-based 3D structure of the CylR2 homodimer at 298K
分子名称: CylR2
著者Jaremko, M, Jaremko, L, Kim, H, Cho, M, Giller, K, Becker, S, Zweckstetter, M, Schwieters, C.D.
登録日2012-09-19
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013

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