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1H8N
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BU of 1h8n by Molmil
Three-dimensional structure of anti-ampicillin single chain Fv fragment from phage-displayed murine antibody libraries
Descriptor: GLYCEROL, MUTANT AL2 6E7S9G, SULFATE ION
Authors:Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A.
Deposit date:2001-02-14
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Importance of Framework Residues H6, H7 and H10 in Antibody Heavy Chains: Experimental Evidence for a New Structural Subclassification of Antibody V(H) Domains
J.Mol.Biol., 309, 2001
2K35
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BU of 2k35 by Molmil
Hydramacin-1: Structure and antibacterial activity of a peptide from the basal metazoan Hydra
Descriptor: hydramacin-1
Authors:Jung, S, Dingley, A.J, Stanisak, M, Gelhaus, C, Bosch, T, Podschun, R, Leippe, M, Gr tzinger, J.
Deposit date:2008-04-22
Release date:2008-11-18
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Hydramacin-1, structure and antibacterial activity of a protein from the Basal metazoan hydra.
J.Biol.Chem., 284, 2009
2LLR
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BU of 2llr by Molmil
NMR structure of Alvinellacin
Descriptor: Alvinellacin
Authors:Jung, S, Tasiemski, A, Leippe, M, Groetzinger, J.
Deposit date:2011-11-16
Release date:2012-12-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of Alvinellacin
To be Published
2LN8
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BU of 2ln8 by Molmil
The solution structure of theromacin
Descriptor: Theromacin
Authors:Jung, S, Soennichsen, F.D, Hung, C.-W, Tholey, A, Boidin-Wichlacz, C, Hausgen, W, Gelhaus, C, Desel, C, Podschun, R, Watzig, V, Tasiemski, A, Leippe, M, Groetzinger, J.
Deposit date:2011-12-20
Release date:2012-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Macin family of antimicrobial proteins combines antimicrobial and nerve repair activities.
J.Biol.Chem., 287, 2012
1I3G
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BU of 1i3g by Molmil
CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ANTIBODY FV FRAGMENT
Authors:Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A.
Deposit date:2001-02-15
Release date:2001-10-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries.
J.Mol.Biol., 309, 2001
2MXQ
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BU of 2mxq by Molmil
The solution structure of DEFA1, a highly potent antimicrobial peptide from the horse
Descriptor: Paneth cell-specific alpha-defensin 1
Authors:Jung, S, Michalek, M, Shomali, M, Soennichsen, F.D.
Deposit date:2015-01-12
Release date:2015-04-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure and functional studies of the highly potent equine antimicrobial peptide DEFA1.
Biochem.Biophys.Res.Commun., 459, 2015
8JOQ
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BU of 8joq by Molmil
Plk1 polo-box domain bound to HPV18 L2 residues 209-215 with pThr213
Descriptor: HPV18 L2 peptide, Serine/threonine-protein kinase PLK1
Authors:Ku, B, Jung, S.
Deposit date:2023-06-08
Release date:2023-10-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Crystal Structures of Plk1 Polo-Box Domain Bound to the Human Papillomavirus Minor Capsid Protein L2-Derived Peptide.
J.Microbiol, 61, 2023
8JOY
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BU of 8joy by Molmil
Plk1 polo-box domain bound to HPV4 L2 residues 251-257 with pThr255
Descriptor: Peptide from Minor capsid protein L2, Serine/threonine-protein kinase PLK1
Authors:Ku, B, Jung, S.
Deposit date:2023-06-09
Release date:2023-10-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structures of Plk1 Polo-Box Domain Bound to the Human Papillomavirus Minor Capsid Protein L2-Derived Peptide.
J.Microbiol, 61, 2023
7P1J
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BU of 7p1j by Molmil
Cryo EM structure of bison NHA2 in detergent structure
Descriptor: mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
7P1I
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BU of 7p1i by Molmil
Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix
Descriptor: mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
7P1K
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BU of 7p1k by Molmil
Cryo EM structure of bison NHA2 in nano disc structure
Descriptor: CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
6S5H
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BU of 6s5h by Molmil
Structure of the human RAB38 in complex with GTP
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2019-07-01
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the human RAB38 in complex with GTP
To Be Published
1H8S
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BU of 1h8s by Molmil
Three-dimensional structure of anti-ampicillin single chain Fv fragment complexed with the hapten.
Descriptor: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, MUTANT AL2 6E7P9G, SULFATE ION
Authors:Burmester, J, Spinelli, S, Pugliese, L, Krebber, A, Honegger, A, Jung, S, Schimmele, B, Cambillau, C, Pluckthun, A.
Deposit date:2001-02-15
Release date:2001-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection, Characterization and X-Ray Structure of Anti-Ampicillin Single-Chain Fv Fragments from Phage-Displayed Murine Antibody Libraries
J.Mol.Biol., 309, 2001
1H8O
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BU of 1h8o by Molmil
Three-dimensional structure of anti-ampicillin single chain Fv fragment.
Descriptor: MUTANT AL2 6E7P9G, SULFATE ION
Authors:Burmester, J, Spinelli, S, Pugliese, L, Krebber, A, Honegger, A, Jung, S, Schimmele, B, Cambillau, C, Pluckthun, A.
Deposit date:2001-02-14
Release date:2001-08-02
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Selection, Characterization and X-Ray Structure of Anti-Ampicillin Single-Chain Fv Fragments from Phage-Displayed Murine Antibody Libraries
J.Mol.Biol., 309, 2001
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-29
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the human RAB3C in complex with GDP
To Be Published
2M2F
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BU of 2m2f by Molmil
The membran-proximal domain of ADAM17
Descriptor: Disintegrin and metalloproteinase domain-containing protein 17
Authors:Duesterhoeft, S, Jung, S, Hung, C, Tholey, A, Soennichsen, F.D, Groetzinger, J, Lorenzen, I.
Deposit date:2012-12-20
Release date:2013-04-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Membrane-proximal domain of a disintegrin and metalloprotease-17 represents the putative molecular switch of its shedding activity operated by protein-disulfide isomerase.
J.Am.Chem.Soc., 135, 2013
6S5F
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BU of 6s5f by Molmil
Structure of the human RAB39B in complex with GMPPNP
Descriptor: 1,2-ETHANEDIOL, GLYCINE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2019-07-01
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the human RAB39B in complex with GMPPNP
To Be Published
2LXO
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BU of 2lxo by Molmil
Identification of the Structural Traits Mediating the Antimicrobial Activity of a Chimeric Peptide of HBD2 and HBD3
Descriptor: Chimeric Peptide
Authors:Spudy, B, Soennichsen, F.D, Waetzig, G.H, Grotzinger, J, Jung, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-12-13
Method:SOLUTION NMR
Cite:Identification of structural traits that increase the antimicrobial activity of a chimeric peptide of human beta-defensins 2 and 3.
Biochem.Biophys.Res.Commun., 427, 2012
6GHG
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BU of 6ghg by Molmil
Variable heavy - variable light domain and Fab-arm CrossMabs with charged residue exchanges
Descriptor: Fab heavy chain, Fab light chain, HEXAETHYLENE GLYCOL, ...
Authors:Regula, J, Imhof-Jung, S, Molhoj, M, Benz, J, Ehler, A, Bujotzek, A, Schaefer, W, Klein, C.
Deposit date:2018-05-07
Release date:2018-09-12
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Variable heavy-variable light domain and Fab-arm CrossMabs with charged residue exchanges to enforce correct light chain assembly.
Protein Eng. Des. Sel., 31, 2018
2N52
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BU of 2n52 by Molmil
The solution structure of the kallikrein inhibitor SPINK6
Descriptor: Serine protease inhibitor Kazal-type 6
Authors:Grotzinger, J.
Deposit date:2015-07-06
Release date:2016-03-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The solution structure of the kallikrein-related peptidases inhibitor SPINK6.
Biochem.Biophys.Res.Commun., 471, 2016
1A26
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BU of 1a26 by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH CARBA-NAD
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POLY (ADP-RIBOSE) POLYMERASE
Authors:Ruf, A, Schulz, G.E.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The mechanism of the elongation and branching reaction of poly(ADP-ribose) polymerase as derived from crystal structures and mutagenesis.
J.Mol.Biol., 278, 1998
7APS
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BU of 7aps by Molmil
The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid
Descriptor: (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-19
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APQ
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BU of 7apq by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APT
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BU of 7apt by Molmil
The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid
Descriptor: 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021

 

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