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1A67
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BU of 1a67 by Molmil
CHICKEN EGG WHITE CYSTATIN WILDTYPE, NMR, 16 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-03-06
Release date:1998-05-27
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
1A90
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BU of 1a90 by Molmil
RECOMBINANT MUTANT CHICKEN EGG WHITE CYSTATIN, NMR, 31 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-04-14
Release date:1998-06-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
3J07
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BU of 3j07 by Molmil
Model of a 24mer alphaB-crystallin multimer
Descriptor: Alpha-crystallin B chain
Authors:Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E.
Deposit date:2011-04-27
Release date:2016-01-20
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING
Cite:N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity.
Proc.Natl.Acad.Sci.USA, 108, 2011
5OF1
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BU of 5of1 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N, ethane-1,2-diol
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OF2
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BU of 5of2 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Spore coat-associated protein N
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3O5N
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BU of 3o5n by Molmil
Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders
Descriptor: (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3
Authors:Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J.
Deposit date:2010-07-28
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Chemmedchem, 6, 2011
7ZBQ
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BU of 7zbq by Molmil
Structure of the ADP-ribosyltransferase TccC3HVR from Photorhabdus Luminescens
Descriptor: TccC3
Authors:Lindemann, F, Belyy, A, Friedrich, D, Schmieder, P, Bardiaux, B, Roderer, D, Funk, J, Protze, J, Bieling, P, Oschkinat, H, Raunser, S.
Deposit date:2022-03-24
Release date:2022-06-29
Last modified:2022-08-03
Method:SOLUTION NMR
Cite:Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.
Nat Commun, 13, 2022
6QAY
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BU of 6qay by Molmil
Structural investigation of the TasA anchoring protein TapA from Bacillus subtilis
Descriptor: TasA anchoring/assembly protein
Authors:Higman, V.A, Schmieder, P, Diehl, A, Oschkinat, H.
Deposit date:2018-12-20
Release date:2020-01-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
1MPH
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BU of 1mph by Molmil
PLECKSTRIN HOMOLOGY DOMAIN FROM MOUSE BETA-SPECTRIN, NMR, 50 STRUCTURES
Descriptor: BETA SPECTRIN
Authors:Nilges, M, Macias, M.J, O'Donoghue, S.I, Oschkinat, H.
Deposit date:1997-04-23
Release date:1997-06-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin.
J.Mol.Biol., 269, 1997
2KLR
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BU of 2klr by Molmil
Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers
Descriptor: Alpha-crystallin B chain
Authors:Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H.
Deposit date:2009-07-08
Release date:2010-07-07
Last modified:2011-07-13
Method:SOLID-STATE NMR
Cite:Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.
Nat.Struct.Mol.Biol., 17, 2010
1SGG
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BU of 1sgg by Molmil
THE SOLUTION STRUCTURE OF SAM DOMAIN FROM THE RECEPTOR TYROSINE KINASE EPHB2, NMR, 10 STRUCTURES
Descriptor: EPHRIN TYPE-B RECEPTOR 2
Authors:Smalla, M, Schmieder, P, Kelly, M, Ter Laak, A, Krause, G, Ball, L, Wahl, M, Bork, P, Oschkinat, H.
Deposit date:1999-01-08
Release date:1999-10-06
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of the receptor tyrosine kinase EphB2 SAM domain and identification of two distinct homotypic interaction sites.
Protein Sci., 8, 1999
1SS6
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BU of 1ss6 by Molmil
Solution structure of SEP domain from human p47
Descriptor: NSFL1 cofactor p47
Authors:Soukenik, M, Leidert, M, Sievert, V, Buessow, K, Leitner, D, Labudde, D, Ball, L.J, Oschkinat, H.
Deposit date:2004-03-23
Release date:2004-11-09
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The SEP domain of p47 acts as a reversible competitive inhibitor of cathepsin L
FEBS Lett., 576, 2004
1U06
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BU of 1u06 by Molmil
crystal structure of chicken alpha-spectrin SH3 domain
Descriptor: AZIDE ION, Spectrin alpha chain, brain
Authors:Chevelkov, V, Faelber, K, Diehl, A, Heinemann, U, Oschkinat, H, Reif, B.
Deposit date:2004-07-13
Release date:2005-01-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR.
J.Biomol.Nmr, 31, 2005
1XZ9
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BU of 1xz9 by Molmil
Structure of AF-6 PDZ domain
Descriptor: Afadin
Authors:Joshi, M, Boisguerin, P, Leitner, D, Volkmer-Engert, R, Moelling, K, Schade, M, Schmieder, P, Krause, G, Oschkinat, H.
Deposit date:2004-11-12
Release date:2005-11-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Discovery of low-molecular-weight ligands for the AF6 PDZ domain.
Angew.Chem.Int.Ed.Engl., 45, 2006
6ZC8
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BU of 6zc8 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid, Segment polarity protein dishevelled homolog DVL-3
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-10
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZBQ
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BU of 6zbq by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC4
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BU of 6zc4 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZBZ
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BU of 6zbz by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid, Dishevelled, ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC7
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BU of 6zc7 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC6
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BU of 6zc6 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid, Segment polarity protein dishevelled homolog DVL-3
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC3
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BU of 6zc3 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 5-fluoranyl-2-(methylsulfonylamino)benzoic acid, Dishevelled, ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
1KQ6
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BU of 1kq6 by Molmil
p47phox PX domain
Descriptor: GLYCEROL, SULFATE ION, neutrophil cytosol factor 1
Authors:Wahl, M, Delbrueck, H, Oschkinat, H, Heinemann, U.
Deposit date:2002-01-04
Release date:2003-11-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:p47phox PX domain
To be Published
1OQA
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BU of 1oqa by Molmil
Solution structure of the BRCT-c domain from human BRCA1
Descriptor: Breast cancer type 1 susceptibility protein
Authors:Gaiser, O.J, Ball, L.J, Schmieder, P, Leitner, D, Strauss, H, Wahl, M, Kuhne, R, Oschkinat, H, Heinemann, U.
Deposit date:2003-03-07
Release date:2004-06-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure, backbone dynamics, and association behavior of the C-terminal BRCT domain from the breast cancer-associated protein BRCA1.
Biochemistry, 43, 2004
1R2N
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BU of 1r2n by Molmil
NMR structure of the all-trans retinal in dark-adapted Bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Patzelt, H, Simon, B, terLaak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H.
Deposit date:2003-09-29
Release date:2003-10-28
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
1R84
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BU of 1r84 by Molmil
NMR structure of the 13-cis-15-syn retinal in dark_adapted bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Patzelt, H, Simon, B, Ter Laak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H.
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002

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