Author results

5I1N
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VILLIN HEADPIECE SUBDOMAIN WITH A GLN26 TO BETA-3-HOMOGLUTAMINE SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1O
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VILLIN HEADPIECE SUBDOMAIN WITH A GLN26 TO ACPC SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1P
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VILLIN HEADPIECE SUBDOMAIN WITH A LYS30 TO BETA-3-HOMOLYSINE SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain, ETHANOL
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1S
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VILLIN HEADPIECE SUBDOMAIN WITH A LYS30 TO APC SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
6MPL
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RACEMIC M2-TM I39A CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, octyl beta-D-glucopyranoside, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPM
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RACEMIC M2-TM I42A CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPN
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RACEMIC M2-TM I42E CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6N8E
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CRYSTAL STRUCTURE OF HOLO-OBIF1, A FIVE DOMAIN NONRIBOSOMAL PEPTIDE SYNTHETASE FROM BURKHOLDERIA DIFFUSA
Descriptor:holo-ObiF1, 4'-PHOSPHOPANTETHEINE, dimethyl hydrogen phosphate, ...
Authors:Kreitler, D.F., Wencewicz, T.A., Gulick, A.M.
Deposit date:2018-11-29
Release date:2019-07-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase.
Nat Commun, 10, 2019
4WPB
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VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH ALPHA/BETA-VEGF-1
Descriptor:Vascular endothelial growth factor A, alpha/beta-VEGF-1
Authors:Kreitler, D.F., Checco, J.W., Gellman, S.H., Forest, K.T.
Deposit date:2014-10-17
Release date:2015-04-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
6C4A
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CRYSTAL STRUCTURE OF 3-NITROPROPIONATE MODIFIED ISOCITRATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS WITH PYRUVATE
Descriptor:Isocitrate lyase 1, PYRUVIC ACID, MAGNESIUM ION, ...
Authors:Kreitler, D.F., Ray, S., Murkin, A.S., Gulick, A.M.
Deposit date:2018-01-11
Release date:2018-06-06
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
6C4C
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CRYSTAL STRUCTURE OF 3-NITROPROPIONATE MODIFIED ISOCITRATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS WITH GLYOXYLATE AND PYRUVATE
Descriptor:Isocitrate lyase 1, GLYOXYLIC ACID, MAGNESIUM ION, ...
Authors:Kreitler, D.F., Ray, S., Murkin, A.S., Gulick, A.M.
Deposit date:2018-01-11
Release date:2018-06-06
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
6VHT
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KLEBSIELLA OXYTOCA NPSA N-TERMINAL SUBDOMAIN IN SPACE GROUP C2
Descriptor:NpsA Adenylation Domain, BROMIDE ION, CHLORIDE ION
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHU
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KLEBSIELLA OXYTOCA NPSA N-TERMINAL SUBDOMAIN IN SPACE GROUP P21
Descriptor:NpsA Adenylation Domain, CHLORIDE ION, POTASSIUM ION, ...
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHV
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KLEBSIELLA OXYTOCA NPSA IN COMPLEX WITH 3-HYDROXYANTHRANILYL-AMSN
Descriptor:NpsA Adenylation Domain, 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHW
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KLEBSIELLA OXYTOCA NPSA N-TERMINAL SUBDOMAIN IN COMPLEX WITH 3-HYDROXYBENZOYL-AMSN
Descriptor:NpsA Adenylation Domain, 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine, TRIETHYLENE GLYCOL, ...
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHX
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KLEBSIELLA OXYTOCA NPSA N-TERMINAL SUBDOMAIN IN COMPLEX WITH 3-HYDROXYANTHRANILYL-AMSN
Descriptor:NpsA Adenylation Domain, 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, ...
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHY
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NPSA-THDA, AN ARTIFICIALLY FUSED ADENYLATION-PCP DI-DOMAIN NRPS FROM KLEBSIELLA OXYTOCA
Descriptor:NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein, 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VHZ
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KLEBSIELLA OXYTOCA NPSA N-TERMINAL SUBDOMAIN IN COMPLEX WITH ANTHRANILYL-AMSN
Descriptor:NpsA Adenylation Domain, 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, CHLORIDE ION, ...
Authors:Kreitler, D.F., Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
4MGP
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STRUCTURE OF RACEMIC ALA-(8,13,18) MAGAININ 2
Descriptor:Magainin 2 Derivative
Authors:Hayouka, Z., Mortenson, D.E., Kreitler, D.F., Weisblum, B., Gellman, S.H., Forest, K.T.
Deposit date:2013-08-28
Release date:2013-10-16
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue.
J.Am.Chem.Soc., 135, 2013
4RWB
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RACEMIC INFLUENZA M2-TM CRYSTALLIZED FROM MONOOLEIN LIPIDIC CUBIC PHASE
Descriptor:Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Mortenson, D.E., Steinkruger, J.D., Kreitler, D.F., Gellman, S.H., Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RWC
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RACEMIC M2-TM CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Mortenson, D.E., Steinkruger, J.D., Kreitler, D.F., Gellman, S.H., Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
5VTI
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STRUCTURE OF PIN1 WW DOMAIN SEQUENCE 3 WITH [R,R]-ACPC LOOP SUBSTITUTION
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, CHLORIDE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTJ
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STRUCTURE OF PIN1 WW DOMAIN SEQUENCE 1 SUBSTITUTED WITH [S,S]ACPC
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTK
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STRUCTURE OF PIN1 WW DOMAIN VARIANT 1 WITH BETA3-SER LOOP SUBSTITUTION
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, CHLORIDE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
6NIV
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RACEMIC PHENOL-SOLUBLE MODULIN ALPHA 3 PEPTIDE
Descriptor:Phenol-soluble modulin PSM-alpha-3
Authors:Yao, Z., Cary, B.P., Bingman, C.A., Wang, C., Kreitler, D.F., Satyshur, K.A., Forest, K.T., Gellman, S.H.
Deposit date:2018-12-31
Release date:2019-05-15
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Use of a Stereochemical Strategy To Probe the Mechanism of Phenol-Soluble Modulin alpha 3 Toxicity.
J.Am.Chem.Soc., 141, 2019
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168889
PDB entries from 2020-09-16