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2D2J
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BU of 2d2j by Molmil
OpdA from Agrobacterium radiobacter without inhibitor/product present at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-09
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
2D2G
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BU of 2d2g by Molmil
OpdA from Agrobacterium radiobacter with bound product dimethylthiophosphate
Descriptor: COBALT (II) ION, O,O-DIMETHYL HYDROGEN THIOPHOSPHATE, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
2D2H
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BU of 2d2h by Molmil
OpdA from Agrobacterium radiobacter with bound inhibitor trimethyl phosphate at 1.8 A resolution
Descriptor: COBALT (II) ION, TRIMETHYL PHOSPHATE, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-09
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
6MMO
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BU of 6mmo by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Carbon regulatory PII-like protein SbtB, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-10-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MMQ
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BU of 6mmq by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Carbon regulatory PII-like protein SbtB
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-10-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MMC
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BU of 6mmc by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbon regulatory PII-like protein SbtB, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-09-30
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6MM2
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BU of 6mm2 by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to ATP and calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Kaczmarski, J.A, Jackson, C.
Deposit date:2018-09-28
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6NTB
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BU of 6ntb by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, SbtB7001, ...
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2019-01-28
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6N4A
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BU of 6n4a by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 (apo)
Descriptor: PHOSPHATE ION, PII-like SbtB
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2018-11-18
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
5IKX
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BU of 5ikx by Molmil
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
Descriptor: Carboxylic ester hydrolase
Authors:Jackson, C, Fraser, N.
Deposit date:2016-03-04
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability.
J.Mol.Biol., 428, 2016
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
Descriptor: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2022-05-11
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
8D4W
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BU of 8d4w by Molmil
Asymmetric ene-reduction of alpha,beta-unsaturated compounds using MSMEG_2850
Descriptor: Cell entry (Mce) related family protein, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Kang, S.W, Frkic, R.L, Jackson, C.
Deposit date:2022-06-02
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Asymmetric Ene-Reduction of alpha , beta-Unsaturated Compounds by F 420 -Dependent Oxidoreductases A Enzymes from Mycobacterium smegmatis .
Biochemistry, 62, 2023
7MSQ
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BU of 7msq by Molmil
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
Descriptor: AB-3467 Fab Heavy Chain, AB-3467 Fab Light Chain, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2021-05-12
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Immunizations with diverse sarbecovirus receptor-binding domains elicit SARS-CoV-2 neutralizing antibodies against a conserved site of vulnerability.
Immunity, 54, 2021
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
Descriptor: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2011-10-17
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5JQJ
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BU of 5jqj by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2016-05-05
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Enzyme evolvability is contingent on the initial sequence background
To Be Published
5K4M
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BU of 5k4m by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2016-05-20
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enzyme evolvability is contingent on the initial sequence background
To Be Published
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019

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