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3T6B
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BU of 3t6b by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 2.4 Angstroms
分子名称: Dipeptidyl peptidase 3, Tynorphin
著者Bezerra, G.A, Gruber, K.
登録日2011-07-28
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III
Proc.Natl.Acad.Sci.USA, 109, 2012
5M58
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BU of 5m58 by Molmil
Crystal structure of CouO, a C-methyltransferase from Streptomyces rishiriensis
分子名称: C-methyltransferase CouO, S-ADENOSYL-L-HOMOCYSTEINE
著者Pavkov-Keller, T, Gruber, K.
登録日2016-10-20
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure and Catalytic Mechanism of CouO, a Versatile C-Methyltransferase from Streptomyces rishiriensis.
PLoS ONE, 12, 2017
4CE5
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BU of 4ce5 by Molmil
First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus
分子名称: AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ...
著者Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K.
登録日2013-11-08
公開日2014-02-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus
Plos One, 9, 2014
3ZOF
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BU of 3zof by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound benzene-1,4-diol
分子名称: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, benzene-1,4-diol
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOG
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BU of 3zog by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, cyclohex-2-en-1-one
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOE
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BU of 3zoe by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde
分子名称: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, P-HYDROXYBENZALDEHYDE
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOD
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BU of 3zod by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound benzene-1,4-diol
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, benzene-1,4-diol
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOH
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BU of 3zoh by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone
分子名称: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, cyclohex-2-en-1-one
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOC
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BU of 3zoc by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, P-HYDROXYBENZALDEHYDE
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
8B30
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BU of 8b30 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD31
分子名称: Phenolic acid decarboxylase N31
著者Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures.
Acs Sustain Chem Eng, 12, 2024
8C66
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BU of 8c66 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
分子名称: Phenolic acid decarboxylase N55, SULFATE ION
著者Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
登録日2023-01-11
公開日2023-07-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reconstructed ancestral sequence of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
2AN7
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BU of 2an7 by Molmil
Solution structure of the bacterial antidote ParD
分子名称: Protein parD
著者Oberer, M, Zangger, K, Gruber, K, Keller, W.
登録日2005-08-11
公開日2006-09-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The solution structure of ParD, the antidote of the ParDE toxin antitoxin module, provides the structural basis for DNA and toxin binding.
Protein Sci., 16, 2007
8PUN
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BU of 8pun by Molmil
Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
分子名称: 1,2-ETHANEDIOL, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, CHLORIDE ION, ...
著者Polidori, N, Gruber, K.
登録日2023-07-17
公開日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
To Be Published
6EZD
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BU of 6ezd by Molmil
Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)
分子名称: Pyrrolysyl-tRNA synthetase
著者Pavkov-Keller, T, Schweiger, K, Gruber, K.
登録日2017-11-15
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A new archaeal pyrrolysyl-tRNA synthetase/amber suppressor tRNA pair for orthogonal protein translation
to be published
8OIM
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BU of 8oim by Molmil
Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200
分子名称: Lipase
著者Mokos, D, Gruber, K, Daniel, B.
登録日2023-03-23
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Amide formation of (hetero)aromatic esters and primary amines in buffer catalyzed by serine hydrolases: An Asp next to Ser of the catalytic triad of serine hydrolases is crucial for activity
To Be Published
5E4D
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BU of 5e4d by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with benzoic acid
分子名称: BENZOIC ACID, Hydroxynitrile lyase
著者Pavkov-Keller, T, Diepold, M, Gruber, K.
登録日2015-10-05
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E4B
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BU of 5e4b by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with (R)-mandelonitrile / benzaldehyde
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, Hydroxynitrile lyase, benzaldehyde
著者Pavkov-Keller, T, Diepold, M, Gruber, K.
登録日2015-10-05
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E4M
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BU of 5e4m by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with p-hydroxybenzaldehyde
分子名称: Hydroxynitrile lyase, P-HYDROXYBENZALDEHYDE
著者Pavkov-Keller, T, Diepold, M, Gruber, K.
登録日2015-10-06
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
4BIF
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BU of 4bif by Molmil
Biochemical and structural characterisation of a novel manganese- dependent hydroxynitrile lyase from bacteria
分子名称: CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN, MANGANESE (II) ION
著者Hajnal, I, Lyskowski, A, Hanefeld, U, Gruber, K, Schwab, H, Steiner, K.
登録日2013-04-10
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Biochemical and Structural Characterisation of a Novel Bacterial Manganese-Dependent Hydroxynitrile Lyase.
FEBS J., 280, 2013
5E46
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BU of 5e46 by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii
分子名称: Hydroxynitrile lyase
著者Pavkov-Keller, T, Diepold, M, Gruber, K.
登録日2015-10-05
公開日2016-10-05
最終更新日2020-12-23
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
7A0Q
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BU of 7a0q by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (C2 SG)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
著者Pavkov-Keller, T, Gruber, K.
登録日2020-08-10
公開日2021-08-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
7A0T
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BU of 7a0t by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
著者Pavkov-Keller, T, Gruber, K.
登録日2020-08-10
公開日2021-08-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
7LQU
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BU of 7lqu by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14075
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E.
登録日2021-02-15
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
8AWN
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BU of 8awn by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant C106Q
分子名称: CHLORIDE ION, Cupin_2 domain-containing protein
著者Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
登録日2022-08-30
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023
8AWP
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BU of 8awp by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant 208 (V19I/R23H/M38I/I60F/C106Q)
分子名称: Cupin_2 domain-containing protein
著者Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
登録日2022-08-30
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023

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