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2W02
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor:ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schmelz, S., McMahon, S.A., Kadi, N., Song, L., Oves-Costales, D., Oke, M., Liu, H., Johnson, K.A., Carter, L., White, M.F., Challis, G.L., Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
2W03
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ADENOSINE, SULFATE AND CITRATE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor:ACSD, ADENOSINE, SULFATE ION, ...
Authors:Schmelz, S., McMahon, S.A., Kadi, N., Song, L., Oves-Costales, D., Oke, M., Liu, H., Johnson, K.A., Carter, L., White, M.F., Challis, G.L., Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2W04
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH CITRATE IN ATP BINDING SITE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor:ACSD, CITRATE ANION
Authors:Schmelz, S., McMahon, S.A., Kadi, N., Song, L., Oves-Costales, D., Oke, M., Liu, H., Johnson, K.A., Carter, L., White, M.F., Challis, G.L., Naismith, J.H.
Deposit date:2008-08-08
Release date:2009-01-13
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2X0P
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CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHETASE PROTEIN C (ALCC) WITH ADENOSINE FROM BORDETELLA BRONCHISEPTICA
Descriptor:ALCALIGIN BIOSYNTHESIS PROTEIN, SULFATE ION, ADENOSINE
Authors:Schmelz, S., Challis, G.L., Naismith, J.H.
Deposit date:2009-12-16
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Co-Complex Structure of Alcaligin Biosynthetase Protein C (Alcc) with Adenosine from Bordetella Bronchiseptica
To be Published
2X0Q
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CO-COMPLEX STRUCTURE OF ALCALIGIN BIOSYNTHESIS PROTEIN C (ALCC) WITH ATP FROM BORDETELLA BRONCHISEPTICA
Descriptor:ALCALIGIN BIOSYNTHESIS PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Schmelz, S., Challis, G.L., Naismith, J.H.
Deposit date:2009-12-16
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Co-Complex Structure of Alcaligin Biosynthesis Protein C (Alcc) with ATP from Bordetella Bronchiseptica
To be Published
2X3J
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor:ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schmelz, S., Challis, G.L., Naismith, J.H.
Deposit date:2010-01-25
Release date:2011-01-19
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
2X3K
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH AMP AND SULFATE FROM PECTOBACTERIUM CHRYSANTHEMI
Descriptor:ACSD, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Schmelz, S., Naismith, J.H.
Deposit date:2010-01-25
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Adenylate Forming Enzymes Involved in Nrps-Independent Siderophore Biosynthesis
Ph D Thesis, 2010
4ALZ
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THE YERSINIA T3SS BASAL BODY COMPONENT YSCD REVEALS A DIFFERENT STRUCTURAL PERIPLASMATIC DOMAIN ORGANIZATION TO KNOWN HOMOLOGUE PRGH
Descriptor:YOP PROTEINS TRANSLOCATION PROTEIN D, PHOSPHATE ION, GLYCEROL
Authors:Schmelz, S., Wisand, U., Stenta, M., Muenich, S., Widow, U., Cornelis, G.R., Heinz, D.W.
Deposit date:2012-03-06
Release date:2013-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Elife, 2, 2013
5FZP
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STRUCTURE OF THE DISPASE AUTOLYSIS INDUCING PROTEIN FROM STREPTOMYCES MOBARAENSIS
Descriptor:DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL, CALCIUM ION
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
4A1T
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CO-COMPLEX OF THE OF NS3-4A PROTEASE WITH THE INHIBITORY PEPTIDE CP5- 46-A (IN-HOUSE DATA)
Descriptor:NONSTRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, CP5-46-A PEPTIDE, ...
Authors:Schmelz, S., Kuegler, J., Collins, J., Heinz, D.W.
Deposit date:2011-09-19
Release date:2012-09-19
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1V
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CO-COMPLEX STRUCTURE OF NS3-4A PROTEASE WITH THE OPTIMIZED INHIBITORY PEPTIDE CP5-46A-4D5E
Descriptor:NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, CP5-46A-4D5E, ...
Authors:Schmelz, S., Kuegler, J., Collins, J., Heinz, D.W.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1X
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CO-COMPLEX STRUCTURE OF NS3-4A PROTEASE WITH THE INHIBITORY PEPTIDE CP5-46-A (SYNCHROTRON DATA)
Descriptor:NONSTRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, CP5-46-A PEPTIDE, ...
Authors:Schmelz, S., Kuegler, J., Collins, J., Heinz, D.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
5OJX
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CRYSTAL STRUCTURE OF REGULATOR PROTEIN 2 (PAMR2) FROM THE PAMAMYCIN BIOSYNTHETIC GENE CLUSTER OF STREPTOMYCES ALBONIGER
Descriptor:TetR family transcription regulator
Authors:Schmelz, S., Rebets, Y., Luzhetskyy, A., Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
5OJY
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CO-COMPLEX STRUCTURE OF REGULATOR PROTEIN 2 (PAMR2) WITH PAMAMYCIN 607 FROM STREPTOMYCES ALBONIGER
Descriptor:TetR family transcription regulator, GLYCEROL, CITRIC ACID, ...
Authors:Schmelz, S., Rebets, Y., Luzhetskyy, A., Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
6GMG
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STRUCTURE OF A GLUTAMINE DONOR MIMICKING INHIBITORY PEPTIDE SHAPED BY THE CATALYTIC CLEFT OF MICROBIAL TRANSGLUTAMINASE
Descriptor:PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, Papain inhibitor, CITRATE ANION, ...
Authors:Schmelz, S., Juettner, N.E., Fuchsbauer, H.L., Scrima, A.
Deposit date:2018-05-25
Release date:2018-10-24
Last modified:2018-12-26
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
3FFE
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STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D, (ACSD)
Descriptor:AcsD
Authors:McMahon, S.A., Liu, H., Carter, L., Oke, M., Johnson, K.A., Schmelz, S., Challis, G.L., White, M.F., Naismith, J.H., Scottish Structural Proteomics Facility (SSPF)
Deposit date:2008-12-03
Release date:2009-02-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis
Nat.Chem.Biol., 5, 2009
4ABI
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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:CATIONIC TRYPSIN, PTA-SFTI INHIBITOR, CALCIUM ION, ...
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:2017-06-28
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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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:CATIONIC TRYPSIN, TRYPSIN INHIBITOR 1, CALCIUM ION, ...
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:2012-11-30
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
4AOQ
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CATIONIC TRYPSIN IN COMPLEX WITH MUTATED SPINACIA OLERACEA TRYPSIN INHIBITOR III (SOTI-III) (F14A)
Descriptor:CATIONIC TRYPSIN, TRYPSIN INHIBITOR 3, CALCIUM ION, ...
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:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4AOR
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CATIONIC TRYPSIN IN COMPLEX WITH THE SPINACIA OLERACEA TRYPSIN INHIBITOR III (SOTI-III)
Descriptor:CATIONIC TRYPSIN, TRYPSIN INHIBITOR 3, GLYCEROL, ...
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:2019-05-08
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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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
4CH7
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CRYSTAL STRUCTURE OF THE SIROHEME DECARBOXYLASE NIRDL
Descriptor:NIRD-LIKE PROTEIN
Authors:Schmelz, S., Kriegler, T.M., Haufschildt, K., Layer, G., Heinz, D.W.
Deposit date:2013-11-29
Release date:2014-07-30
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014
4CZC
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CRYSTAL STRUCTURE OF THE SIROHEME DECARBOXYLASE NIRDL IN CO-COMPLEX WITH IRON-UROPORPHYRIN III ANALOGUE
Descriptor:NIRD-LIKE PROTEIN, Fe(III) Uroporphyrin
Authors:Schmelz, S., Kriegler, T.M., Haufschildt, K., Layer, G., Heinz, D.W.
Deposit date:2014-04-17
Release date:2014-07-30
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
J.Mol.Biol., 426, 2014
5NTB
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STREPTOMYCES PAPAIN INHIBITOR (SPI)
Descriptor:Papain inhibitor, SULFATE ION
Authors:Schmelz, S., Juettner, N.E., Fuchsbauer, H.L., Scrima, A.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Illuminating structure and acyl donor sites of a physiological transglutaminase substrate from Streptomyces mobaraensis.
Protein Sci., 27, 2018
6FHP
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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:2018-11-28
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
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