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1Z5M
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BU of 1z5m by Molmil
Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1
Descriptor: 3-phosphoinositide dependent protein kinase-1, CHLORIDE ION, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2005-03-18
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
J.Biol.Chem., 280, 2005
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-08
Release date:2019-12-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RKY
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BU of 6rky by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-30
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
3LQY
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BU of 3lqy by Molmil
Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica
Descriptor: GLYCEROL, putative isochorismatase hydrolase
Authors:Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-10
Release date:2010-03-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica.
J.Struct.Funct.Genom., 13, 2012
5K6O
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BU of 5k6o by Molmil
Structure of a GH3 b-glucosidase from cow rumen metagenome in complex with galactose
Descriptor: 1,2-ETHANEDIOL, B-GLUCOSIDASE, SULFATE ION, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
5K6N
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BU of 5k6n by Molmil
Structure of a GH3 b-glicosidase from cow rumen metagenome in complexed with xylose
Descriptor: B-GLUCOSIDASE, GLYCEROL, SULFATE ION, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
5K6M
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BU of 5k6m by Molmil
Structure of a GH3 b-glIcosidase from cow rumen metagenome in complex with glucose
Descriptor: B-GLUCOSIDASE, SULFATE ION, beta-D-glucopyranose
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
5K6L
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BU of 5k6l by Molmil
Structure of a GH3 b-glucosidase from cow rumen metagenome
Descriptor: B-GLUCOSIDASE, GLYCEROL
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
6Z69
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BU of 6z69 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: 7-hydroxy-4-methyl-2H-chromen-2-one, Acetyl esterase/lipase, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
6Z68
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BU of 6z68 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
Descriptor: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
6SCD
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BU of 6scd by Molmil
Polyester hydrolase PE-H Y250S mutant of Pseudomonas aestusnigri
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E.
Deposit date:2019-07-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights.
Front Microbiol, 11, 2020
6SBN
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BU of 6sbn by Molmil
Polyester hydrolase PE-H of Pseudomonas aestusnigri
Descriptor: ACETATE ION, SODIUM ION, polyester hydrolase
Authors:Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E.
Deposit date:2019-07-22
Release date:2020-02-26
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights.
Front Microbiol, 11, 2020
6SXP
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BU of 6sxp by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-26
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nano-environment.
Acs Nano, 14, 2020
6SYL
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BU of 6syl by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: Esterase, butoxy(hexyl)phosphinic acid
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-30
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nano-environment.
Acs Nano, 14, 2020
6SXY
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BU of 6sxy by Molmil
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2S)-2-PHENYLPROPANOATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-26
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Comput Struct Biotechnol J, 19, 2021
6SYA
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BU of 6sya by Molmil
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2R)-2-PHENYLPROPANOATE
Descriptor: Esterase, GLYCEROL, methyl (2~{R})-2-phenylpropanoate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Comput Struct Biotechnol J, 19, 2021
5JD4
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BU of 5jd4 by Molmil
Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, BENZAMIDINE, CHLORIDE ION, ...
Authors:Stogios, P.J, Xu, X, Alcaide, M, Yim, V, Cui, H, Martinez-Martinez, M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
To Be Published
5JD3
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BU of 5jd3 by Molmil
Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ...
Authors:Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:To be published
To Be Published
5JD6
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BU of 5jd6 by Molmil
Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
Descriptor: MGS-MChE2
Authors:Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
To Be Published
5JD5
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BU of 5jd5 by Molmil
Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
Descriptor: CHLORIDE ION, MGS-MilE3
Authors:Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
1QMR
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BU of 1qmr by Molmil
BIRCH POLLEN ALLERGEN BET V 1 MUTANT N28T, K32Q, E45S, P108G
Descriptor: MAJOR POLLEN ALLERGEN BET V 1-A
Authors:Henriksen, A, Holm, J.O, Spangfort, M.D, Gajhede, M.
Deposit date:1999-10-06
Release date:2000-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Allergy vaccine engineering: epitope modulation of recombinant Bet v 1 reduces IgE binding but retains protein folding pattern for induction of protective blocking-antibody responses.
J Immunol., 173, 2004
6XNE
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BU of 6xne by Molmil
GCN4-p1 Peptide Trimer with p-methylphenylalanine residue at position 16 (me-F16)
Descriptor: GCN4-p1 Peptide with A16, GCN4-p1 Peptide with me-F16, MAGNESIUM ION, ...
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published

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