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3UJ1
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BU of 3uj1 by Molmil
Crystal structure of the third thioredoxin domain of human ERp46
Descriptor: Thioredoxin domain-containing protein 5
Authors:Parthier, C, Funkner, A, Ferrari, D.M, Stubbs, M.T.
Deposit date:2011-11-07
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Peptide Binding by Catalytic Domains of the Protein Disulfide Isomerase-Related Protein ERp46.
J.Mol.Biol., 425, 2013
2ITK
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BU of 2itk by Molmil
human Pin1 bound to D-PEPTIDE
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, D-Peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Noel, J.P, Zhang, Y.
Deposit date:2006-10-19
Release date:2007-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
6XUF
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BU of 6xuf by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.E.
Deposit date:2020-01-19
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
6YYK
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BU of 6yyk by Molmil
Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6YYF
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BU of 6yyf by Molmil
Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6YYG
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BU of 6yyg by Molmil
Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
5NB8
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BU of 5nb8 by Molmil
Structure of vWC domain from CCN3
Descriptor: GLYCEROL, IMIDAZOLE, Protein NOV homolog
Authors:Xu, E.-R, Hyvonen, M.
Deposit date:2017-03-01
Release date:2017-06-14
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2.
J. Biol. Chem., 292, 2017
1P9Y
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BU of 1p9y by Molmil
Ribosome binding of E. coli Trigger Factor mutant F44L.
Descriptor: ACETIC ACID, Trigger factor
Authors:Kristensen, O, Gajhede, M.
Deposit date:2003-05-13
Release date:2003-12-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chaperone binding at the ribosomal exit tunnel.
Structure, 11, 2003
1OMS
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BU of 1oms by Molmil
Structure determination by MAD: E.coli Trigger Factor binding at the ribosomal exit tunnel.
Descriptor: GLYCEROL, SULFATE ION, SULFUR DIOXIDE, ...
Authors:Kristensen, O, Gajhede, M.
Deposit date:2003-02-26
Release date:2003-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chaperone binding at the ribosomal exit tunnel.
Structure, 11, 2003
6TT2
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BU of 6tt2 by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TSE
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BU of 6tse by Molmil
Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-20
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TUH
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BU of 6tuh by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-01-07
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
1NMF
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BU of 1nmf by Molmil
MAJOR COLD-SHOCK PROTEIN, NMR, 20 STRUCTURES
Descriptor: MAJOR COLD-SHOCK PROTEIN
Authors:Schnuchel, A, Holak, T.A.
Deposit date:1996-02-05
Release date:1996-07-11
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure in solution of the major cold-shock protein from Bacillus subtilis.
Nature, 364, 1993
1NMG
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BU of 1nmg by Molmil
MAJOR COLD-SHOCK PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: MAJOR COLD-SHOCK PROTEIN
Authors:Schnuchel, A, Holak, T.A.
Deposit date:1996-02-05
Release date:1996-07-11
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure in solution of the major cold-shock protein from Bacillus subtilis.
Nature, 364, 1993
1ELF
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BU of 1elf by Molmil
NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH
Descriptor: (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ...
Authors:Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U.
Deposit date:1995-03-13
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
1ELG
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BU of 1elg by Molmil
NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH
Descriptor: (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE, CALCIUM ION, PORCINE PANCREATIC ELASTASE
Authors:Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U.
Deposit date:1995-03-13
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUO
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BU of 5quo by Molmil
HumRadA1 soaked with 0.2 mM indazole in 10% DMSO
Descriptor: PHOSPHATE ION, RadA
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.342 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUI
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BU of 5qui by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 5 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published

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