5I1N
 
 | | Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution | | 分子名称: | D-Villin headpiece subdomain, Villin-1 | | 著者 | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | 登録日 | 2016-02-05 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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
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5I1P
 | | Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution | | 分子名称: | D-Villin headpiece subdomain, ETHANOL, Villin-1 | | 著者 | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | 登録日 | 2016-02-05 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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
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5I1O
 | | Villin headpiece subdomain with a Gln26 to ACPC substitution | | 分子名称: | D-Villin headpiece subdomain, Villin-1 | | 著者 | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | 登録日 | 2016-02-05 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.348 Å) | | 主引用文献 | 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
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5I1S
 | | Villin headpiece subdomain with a Lys30 to APC substitution | | 分子名称: | D-Villin headpiece subdomain, Villin-1 | | 著者 | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | 登録日 | 2016-02-05 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | 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
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6MPL
 | | Racemic M2-TM I39A crystallized from racemic detergent | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Matrix protein 2, octyl beta-D-glucopyranoside | | 著者 | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | 登録日 | 2018-10-07 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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6MPN
 | | Racemic M2-TM I42E crystallized from racemic detergent | | 分子名称: | Matrix protein 2, octyl beta-D-glucopyranoside | | 著者 | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | 登録日 | 2018-10-07 | | 公開日 | 2019-01-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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6MPM
 | | Racemic M2-TM I42A crystallized from racemic detergent | | 分子名称: | Matrix protein 2, octyl beta-D-glucopyranoside | | 著者 | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | 登録日 | 2018-10-07 | | 公開日 | 2019-01-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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6N8E
 | | Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa | | 分子名称: | 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. | | 登録日 | 2018-11-29 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase.
Nat Commun, 10, 2019
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4WPB
 | | Vascular endothelial growth factor in complex with alpha/beta-VEGF-1 | | 分子名称: | Vascular endothelial growth factor A, alpha/beta-VEGF-1 | | 著者 | Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T. | | 登録日 | 2014-10-17 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6C4C
 | | Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate | | 分子名称: | 3-NITROPROPANOIC ACID, GLYOXYLIC ACID, Isocitrate lyase 1, ... | | 著者 | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | | 登録日 | 2018-01-11 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
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6C4A
 | | Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with pyruvate | | 分子名称: | 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | | 登録日 | 2018-01-11 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
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6VHT
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6VHU
 | | Klebsiella oxytoca NpsA N-terminal subdomain in space group P21 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHV
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6VHX
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxyanthranilyl-AMSN | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHW
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxybenzoyl-AMSN | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine, BROMIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHZ
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN | | 分子名称: | 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VHY
 | | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | | 分子名称: | 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, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | | 著者 | Kreitler, D.F, Gulick, A.M. | | 登録日 | 2020-01-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6X45
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7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | 登録日 | 2020-09-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | 登録日 | 2020-09-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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5VTJ
 | | Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC | | 分子名称: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | | 著者 | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
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5VTI
 | | Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution | | 分子名称: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
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5VTK
 | | Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution | | 分子名称: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
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4RWC
 | | Racemic M2-TM crystallized from racemic detergent | | 分子名称: | Matrix protein 2, octyl beta-D-glucopyranoside | | 著者 | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | | 登録日 | 2014-12-02 | | 公開日 | 2015-10-14 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
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