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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2024-10-30
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
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
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
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
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2024-11-13
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
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
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2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Boron catalysis in a designer enzyme.
Nature, 629, 2024
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
2PI8
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BU of 2pi8 by Molmil
Crystal structure of E. coli MltA with bound chitohexaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase A, PHOSPHATE ION
著者van Straaten, K.E, Barends, T.R.M, Dijkstra, B.W, Thunnissen, A.M.W.H.
登録日2007-04-13
公開日2007-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
4ESF
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BU of 4esf by Molmil
Crystal structure of PadR-like transcriptional regulator (BCE3449) from Bacillus cereus strain ATCC 10987
分子名称: PadR-like transcriptional regulator
著者Fibriansah, G, Kovacs, A.T, Kuipers, O.P, Thunnissen, A.M.W.H.
登録日2012-04-23
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Two Transcriptional Regulators from Bacillus cereus Define the Conserved Structural Features of a PadR Subfamily.
Plos One, 7, 2012
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
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
2PIC
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BU of 2pic by Molmil
E. coli lytic transglycosylase MltA-D308A in apo-2 form
分子名称: Membrane-bound lytic murein transglycosylase A
著者van Straaten, K.E, Dijkstra, B.W, Thunnissen, A.M.W.H.
登録日2007-04-13
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
2PJJ
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BU of 2pjj by Molmil
E. coli lytic transglycosylase MltA-D308A in apo-1 form
分子名称: Membrane-bound lytic murein transglycosylase A
著者van Straaten, K.E, Dijkstra, B.W, Thunnissen, A.M.W.H.
登録日2007-04-16
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
8BIT
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BU of 8bit by Molmil
Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP
分子名称: 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
著者Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2022-11-02
公開日2023-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
8BIQ
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BU of 8biq by Molmil
Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP
分子名称: 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
著者Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2022-11-02
公開日2023-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
分子名称: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
著者Reddem, R, Thunnissen, A.M.W.H.
登録日2019-03-14
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020
6F88
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BU of 6f88 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone
分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6F8C
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BU of 6f8c by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone
分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018

 

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