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2IT8
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BU of 2it8 by Molmil
Solution structure of a linear analog of the cyclic squash trypsin inhibitor MCoTI-II
Descriptor: Trypsin inhibitor 2
Authors:Avrutina, O, Chiche, L, Diederichsen, U, Heitz, A, Kolmar, H.
Deposit date:2006-10-19
Release date:2007-10-02
Last modified:2014-04-02
Method:SOLUTION NMR
Cite:Knottin cyclization: Structure and stability of cyclic and linear squash inhibitors do not differ significantly
To be Published
1H9H
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BU of 1h9h by Molmil
COMPLEX OF EETI-II WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II
Authors:Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I.
Deposit date:2001-03-12
Release date:2004-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
1H9I
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BU of 1h9i by Molmil
COMPLEX OF EETI-II MUTANT WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II
Authors:Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I.
Deposit date:2001-03-12
Release date:2004-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
1W7Z
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BU of 1w7z by Molmil
Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II)
Descriptor: FORMIC ACID, SODIUM ION, TRYPSIN INHIBITOR II
Authors:Kraetzner, R, Debreczeni, J.E, Pape, T, Kolmar, H, Schneider, T.R, Uson, I, Scheldrick, G.M.
Deposit date:2004-09-14
Release date:2005-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
2V3A
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BU of 2v3a by Molmil
Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
Deposit date:2007-06-14
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V3B
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BU of 2v3b by Molmil
Crystal structure of the electron transfer complex rubredoxin - rubredoxin reductase from Pseudomonas aeruginosa.
Descriptor: FE (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, RUBREDOXIN 2, ...
Authors:Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
Deposit date:2007-06-14
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
4AOQ
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BU of 4aoq by Molmil
Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A)
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4AOR
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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4B0F
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BU of 4b0f by Molmil
Heptameric core complex structure of C4b-binding (C4BP) protein from human
Descriptor: C4B-BINDING PROTEIN ALPHA CHAIN, CHLORIDE ION
Authors:Schmelz, S, Hofmeyer, T, Kolmar, H, Heinz, D.W.
Deposit date:2012-07-02
Release date:2013-01-09
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Arranged Sevenfold: Structural Insights Into the C-Terminal Oligomerization Domain of Human C4B-Binding Protein.
J.Mol.Biol., 425, 2013
2C4B
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BU of 2c4b by Molmil
Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARNASE MCOEETI FUSION, ...
Authors:Niemann, H.H, Schmoldt, H.U, Wentzel, A, Kolmar, H, Heinz, D.W.
Deposit date:2005-10-18
Release date:2005-11-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Barnase Fusion as a Tool to Determine the Crystal Structure of the Small Disulfide-Rich Protein Mcoeeti.
J.Mol.Biol., 356, 2006
2CG3
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BU of 2cg3 by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa.
Descriptor: SDSA1, ZINC ION
Authors:Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
Deposit date:2006-02-27
Release date:2006-04-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Third Class of Sulfatases
Proc.Natl.Acad.Sci.USA, 103, 2006
2CG2
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BU of 2cg2 by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with sulfate
Descriptor: SDSA1, SULFATE ION, ZINC ION
Authors:Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
Deposit date:2006-02-27
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
2CFZ
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BU of 2cfz by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-dodecanol
Descriptor: 1-DODECANOL, DI(HYDROXYETHYL)ETHER, SDS HYDROLASE SDSA1, ...
Authors:Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
Deposit date:2006-02-26
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
2CFU
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BU of 2cfu by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-decane-sulfonic-acid.
Descriptor: 1-DECANE-SULFONIC-ACID, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ...
Authors:Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
Deposit date:2006-02-23
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
7R0L
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BU of 7r0l by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Meyners, C, Hausch, F.
Deposit date:2022-02-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
Descriptor: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
Authors:Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
6GMG
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BU of 6gmg by Molmil
Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ...
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2018-05-25
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 2018
2IT7
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BU of 2it7 by Molmil
Solution structure of the squash trypsin inhibitor EETI-II
Descriptor: Trypsin inhibitor 2
Authors:Chiche, L, Heitz, A, Le-Nguyen, D.
Deposit date:2006-10-19
Release date:2007-10-02
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Knottin cyclization: Structure and stability of cyclic and linear squash inhibitors do not differ significantly
To be Published
8BA6
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BU of 8ba6 by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Hausch, F.
Deposit date:2022-10-11
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
8BAJ
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BU of 8baj by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Hausch, F.
Deposit date:2022-10-11
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022

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