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PDB: 71 件

1SLY
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BU of 1sly by Molmil
COMPLEX OF THE 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE WITH BULGECIN A
分子名称: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE
著者Thunnissen, A.M.W.H, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
登録日1995-08-02
公開日1996-08-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 70-kDa soluble lytic transglycosylase complexed with bulgecin A. Implications for the enzymatic mechanism.
Biochemistry, 34, 1995
5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
分子名称: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
5CLN
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BU of 5cln by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom
分子名称: 2-hydroxymuconate tautomerase
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
8QDH
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BU of 8qdh by Molmil
Engineered LmrR carrying a cyclic boronate ester formed between Tris and p-boronophenylalanine at position 89
分子名称: GLYCEROL, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
登録日2023-08-29
公開日2024-05-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Boron catalysis in a designer enzyme.
Nature, 629, 2024
8QDF
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BU of 8qdf by Molmil
Engineered LmrR with Met-89 replaced by para-boronophenylalanine
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
登録日2023-08-29
公開日2024-05-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Boron catalysis in a designer enzyme.
Nature, 629, 2024
7P76
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BU of 7p76 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde
分子名称: (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
登録日2021-07-19
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
7P75
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BU of 7p75 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions in substrate-free state
分子名称: Deoxyribose-phosphate aldolase
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
登録日2021-07-19
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
4X19
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BU of 4x19 by Molmil
Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom
分子名称: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2014-11-24
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
4X1C
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BU of 4x1c by Molmil
Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution
分子名称: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2014-11-24
公開日2015-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
7QZ8
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BU of 7qz8 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ7
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BU of 7qz7 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ9
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BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ6
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BU of 7qz6 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5-fluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ5
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BU of 7qz5 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
5OFQ
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BU of 5ofq by Molmil
Crystal structure of substrate-free CYP109A2 from Bacillus megaterium
分子名称: Cytochrome P450, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-07-11
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biochemical and structural characterization of CYP109A2, a vitamin D3 25-hydroxylase from Bacillus megaterium.
FEBS J., 284, 2017
1CKP
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BU of 1ckp by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
分子名称: 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B
著者Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H.
登録日1998-07-14
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
4U5R
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BU of 4u5r by Molmil
Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.55 Angstrom
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhCC
著者Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
登録日2014-07-25
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
4U5P
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BU of 4u5p by Molmil
Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
著者Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
登録日2014-07-25
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
7B4J
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BU of 7b4j by Molmil
Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2020-12-02
公開日2021-09-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
7B4I
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BU of 7b4i by Molmil
Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines
分子名称: Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2020-12-02
公開日2021-09-01
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
6I8N
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BU of 6i8n by Molmil
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenylalanine
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Transcriptional regulator, PadR-like family
著者Reddem, R, Thunnissen, A.M.W.H.
登録日2018-11-20
公開日2019-01-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Directed Evolution of a Designer Enzyme Featuring an Unnatural Catalytic Amino Acid.
Angew. Chem. Int. Ed. Engl., 58, 2019
6GK6
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BU of 6gk6 by Molmil
Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid
分子名称: Cytochrome P450 CYP267B1 protein, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2018-05-18
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1.
Biochem. J., 475, 2018
3L6H
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BU of 3l6h by Molmil
Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine
分子名称: Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE
著者Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
登録日2009-12-23
公開日2010-05-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
3L6G
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BU of 3l6g by Molmil
Crystal structure of lactococcal OpuAC in its open conformation
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine ABC transporter permease and substrate binding protein
著者Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
登録日2009-12-23
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
6TB0
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BU of 6tb0 by Molmil
Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii
分子名称: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2019-10-31
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020

 

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