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PDB: 78 results

1DM2
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BU of 1dm2 by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE
Descriptor: 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2
Authors:Thunnissen, A.M, Kim, S.-H.
Deposit date:1999-12-13
Release date:2000-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
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
Descriptor: (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
Deposit date:2021-07-19
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Deoxyribose-phosphate aldolase
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
Deposit date:2021-07-19
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite: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
Descriptor: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2015-07-16
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-hydroxymuconate tautomerase
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2015-07-16
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
8QDF
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BU of 8qdf by Molmil
Engineered LmrR with Met-89 replaced by para-boronophenylalanine
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
Deposit date:2023-08-29
Release date:2024-05-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Boron catalysis in a designer enzyme.
Nature, 629, 2024
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
Descriptor: GLYCEROL, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
Deposit date:2023-08-29
Release date:2024-05-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Boron catalysis in a designer enzyme.
Nature, 629, 2024
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
Descriptor: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2014-11-24
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.944 Å)
Cite: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
Descriptor: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2014-11-24
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
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
Descriptor: DAUNOMYCIN, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
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
Descriptor: DAUNOMYCIN, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: DAUNOMYCIN, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
1SLY
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BU of 1sly by Molmil
COMPLEX OF THE 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE WITH BULGECIN A
Descriptor: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE
Authors:Thunnissen, A.M.W.H, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
Deposit date:1995-08-02
Release date:1996-08-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 70-kDa soluble lytic transglycosylase complexed with bulgecin A. Implications for the enzymatic mechanism.
Biochemistry, 34, 1995
1OXT
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BU of 1oxt by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
Descriptor: ABC transporter, ATP binding protein
Authors:Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
Deposit date:2003-04-03
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
1IIG
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BU of 1iig by Molmil
STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHONOPROPIONATE
Descriptor: 3-PHOSPHONOPROPANOIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J.
Deposit date:2001-04-23
Release date:2001-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
1IIH
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BU of 1iih by Molmil
STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHOGLYCERATE
Descriptor: 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J.
Deposit date:2001-04-23
Release date:2001-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
1OXS
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BU of 1oxs by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
Descriptor: ABC transporter, ATP binding protein, IODIDE ION
Authors:Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
Deposit date:2003-04-03
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
1OXU
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BU of 1oxu by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
Descriptor: ABC transporter, ATP binding protein, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
Deposit date:2003-04-03
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
1OXV
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BU of 1oxv by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
Descriptor: ABC transporter, ATP binding protein, IODIDE ION, ...
Authors:Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
Deposit date:2003-04-03
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
5LH9
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BU of 5lh9 by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PLP-bound (internal aldimine) form
Descriptor: OMEGA TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2016-07-10
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Acs Catalysis, 7, 2017
6TB0
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BU of 6tb0 by Molmil
Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2019-10-31
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
6TB1
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BU of 6tb1 by Molmil
Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2019-10-31
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
7PUO
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BU of 7puo by Molmil
Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions
Descriptor: 2-hydroxymuconate tautomerase,Chains: A,B,C,D,E,F,2-hydroxymuconate tautomerase, CHLORIDE ION, GLYCEROL
Authors:Rozeboom, H.J, Thunnissen, A.M.W.H, Poelarends, G.J.
Deposit date:2021-09-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis by an Oligomeric C-C Bond-Forming Enzyme.
Angew.Chem.Int.Ed.Engl., 61, 2022

 

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