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PDB: 71 results

5OFQ
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BU of 5ofq by Molmil
Crystal structure of substrate-free CYP109A2 from Bacillus megaterium
Descriptor: Cytochrome P450, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-07-11
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B
Authors:Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
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
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2020-12-02
Release date:2021-09-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2020-12-02
Release date:2021-09-01
Last modified:2021-09-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhCC
Authors:Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
1OXX
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BU of 1oxx 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, van Oosterwijk, N, Dijkstra, B.W, Driessen, A.J.M, Thunnissen, A.M.W.H.
Deposit date:2003-04-03
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Formation of the productive ATP-Mg2+-bound dimer of GlcV, an ABC-ATPase from Sulfolobus solfataricus
J.Mol.Biol., 334, 2003
3ZVH
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BU of 3zvh by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
Deposit date:2011-07-25
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
4C3Y
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BU of 4c3y by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione
Descriptor: 3-KETOSTEROID DEHYDROGENASE, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W.
Deposit date:2013-08-28
Release date:2013-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism
J.Biol.Chem., 288, 2013
4C3X
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BU of 4c3x by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1
Descriptor: 3-KETOSTEROID DEHYDROGENASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W.
Deposit date:2013-08-28
Release date:2013-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism
J.Biol.Chem., 288, 2013
3ZVI
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BU of 3zvi by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant L384A
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
Deposit date:2011-07-25
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
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
3L6G
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BU of 3l6g by Molmil
Crystal structure of lactococcal OpuAC in its open conformation
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine ABC transporter permease and substrate binding protein
Authors:Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
Deposit date:2009-12-23
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
3L6H
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BU of 3l6h by Molmil
Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine
Descriptor: Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE
Authors:Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
Deposit date:2009-12-23
Release date:2010-05-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
4P0G
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BU of 4p0g by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and muropeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, CHLORIDE ION, ...
Authors:Redden, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-21
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and muropeptide
To Be Published
4OXV
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BU of 4oxv by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with valine
Descriptor: Membrane-bound lytic murein transglycosylase F, VALINE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-07
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with valine
To Be Published
4OZ9
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BU of 4oz9 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine
Descriptor: ISOLEUCINE, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-14
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine
To Be Published
4OYV
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BU of 4oyv by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with leucine
Descriptor: CHLORIDE ION, LEUCINE, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-13
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with leucine
To Be Published
4OWD
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BU of 4owd by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with cysteine
Descriptor: CHLORIDE ION, CYSTEINE, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-01-31
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with cysteine
To Be Published
4P11
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BU of 4p11 by Molmil
Native crystal structure of MltF Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, MAGNESIUM ION, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-24
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Native crystal structure of MltF Pseudomonas aeruginosa
To Be Published
4ESF
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BU of 4esf by Molmil
Crystal structure of PadR-like transcriptional regulator (BCE3449) from Bacillus cereus strain ATCC 10987
Descriptor: PadR-like transcriptional regulator
Authors:Fibriansah, G, Kovacs, A.T, Kuipers, O.P, Thunnissen, A.M.W.H.
Deposit date:2012-04-23
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Two Transcriptional Regulators from Bacillus cereus Define the Conserved Structural Features of a PadR Subfamily.
Plos One, 7, 2012
4ESB
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BU of 4esb by Molmil
Crystal structure of PadR-like transcriptional regulator (BC4206) from Bacillus cereus strain ATCC 14579
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
Authors:Fibriansah, G, Kovacs, A.T, Kuipers, O.P, Thunnissen, A.M.W.H.
Deposit date:2012-04-23
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Two Transcriptional Regulators from Bacillus cereus Define the Conserved Structural Features of a PadR Subfamily.
Plos One, 7, 2012
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
5LHA
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BU of 5lha by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PMP-bound form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, OMEGA TRANSAMINASE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2016-07-10
Release date:2017-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 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
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
Descriptor: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
Authors:Reddem, R, Thunnissen, A.M.W.H.
Deposit date:2019-03-14
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020

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