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6SAB
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BU of 6sab by Molmil
M-BUTX-Ptr1a (Parabuthus transvaalicus)
Descriptor: M-BUTX-Ptr1a
Authors:Meudal, H, Landon, C, Delmas, A.F.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION
Authors:Morimoto, Y.
Deposit date:2016-05-11
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Histone H3, ...
Authors:Sengoku, T, Yokoyama, S.
Deposit date:2011-03-07
Release date:2011-10-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.803 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 6A, ...
Authors:Sengoku, T, Yokoyama, S.
Deposit date:2011-03-07
Release date:2011-10-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Hemin-degrading HemS.ChuX domain protein
Authors:Sekine, Y, Tanaka, Y, Uchida, T.
Deposit date:2015-11-24
Release date:2016-07-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.901 Å)
Cite: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
Descriptor: BuTX-MTX
Authors: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.
Deposit date:2004-11-16
Release date:2004-11-30
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Increasing the molecular contacts between maurotoxin and Kv1.2 channel augments ligand affinity.
Proteins, 60, 2005
6FUL
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BU of 6ful by Molmil
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
Descriptor: 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ...
Authors:Esposito, C, Sledz, P, Caflisch, A.
Deposit date:2018-02-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
6G8F
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BU of 6g8f by Molmil
Crystal structure of UTX complexed with GSK-J1
Descriptor: 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, ...
Authors:Esposito, C, Sledz, P, Caflisch, A.
Deposit date:2018-04-08
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.043 Å)
Cite: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
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Esposito, C, Sledz, P, Caflisch, A.
Deposit date:2018-02-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
5UTX
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BU of 5utx by Molmil
Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 - apo form
Descriptor: PHOSPHATE ION, Thioredoxin reductase
Authors:Chang, C, Grimshaw, S, Maltseva, N, Mulligan, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-15
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite: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)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.05 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-23
Release date:2014-08-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
3UTX
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BU of 3utx by Molmil
Crystal structure of bacteriorhodopsin mutant T46A
Descriptor: Bacteriorhodopsin, DODECANE, RETINAL
Authors:Cao, Z, Bowie, J.U.
Deposit date:2011-11-27
Release date:2012-05-09
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
1UTX
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BU of 1utx by Molmil
Regulation of Cytolysin Expression by Enterococcus faecalis: Role of CylR2
Descriptor: CYLR2, IODIDE ION, SODIUM ION
Authors:Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M.
Deposit date:2003-12-12
Release date:2004-09-16
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: cytolysin regulator 2
Authors:Rumpel, S, Becker, S, Zweckstetter, M.
Deposit date:2006-05-12
Release date:2007-04-24
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:High-resolution structure determination of the CylR2 homodimer using paramagnetic relaxation enhancement and structure-based prediction of molecular alignment
J.Biomol.Nmr, 40, 2008
2XI8
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BU of 2xi8 by Molmil
High resolution structure of native CylR2
Descriptor: GLYCEROL, PUTATIVE TRANSCRIPTION REGULATOR
Authors:Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-06-28
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
2XIU
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BU of 2xiu by Molmil
High resolution structure of MTSL-tagged CylR2.
Descriptor: CYLR2, GLYCEROL, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-07-01
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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.
Descriptor: CYLR2 SYNONYM CYTOLYSIN REPRESSOR 2, GLYCEROL
Authors:Gruene, T, Cho, M.K, Karyagina, I, Kim, H.Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-07-02
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite: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)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYJ
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BU of 2lyj by Molmil
NOE-based 3D structure of the CylR2 homodimer at 298K
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Giller, K, Becker, S, Zweckstetter, M, Schwieters, C.D.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
2LYK
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BU of 2lyk by Molmil
NOE-based 3D structure of the CylR2 homodimer at 270K (-3 Celsius degrees)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: CylR2
Authors:Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2012-09-19
Release date:2013-02-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013

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