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6PXY
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BU of 6pxy by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-alanine
Descriptor: ALANINE, Putative methyl-accepting chemotaxis protein
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-28
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
7O6L
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BU of 7o6l by Molmil
Crystal structure of C. elegans ERH-2
Descriptor: Enhancer of rudimentary homolog 2
Authors:Falk, S, Ketting, R.F.
Deposit date:2021-04-11
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of PETISCO complex assembly during piRNA biogenesis in C. elegans .
Genes Dev., 35, 2021
7O4T
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BU of 7o4t by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and possible additional binding site (CoA(ECH/HAD))
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2021-04-07
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
J.Struct.Biol., 213, 2021
5B2R
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BU of 5b2r by Molmil
Crystal structure of the Streptococcus pyogenes Cas9 VQR variant in complex with sgRNA and target DNA (TGA PAM)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CRISPR-associated endonuclease Cas9, ...
Authors:Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2016-02-02
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Altered PAM Specificities of Engineered CRISPR-Cas9
Mol.Cell, 61, 2016
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 2019
6VZ6
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BU of 6vz6 by Molmil
Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
Descriptor: Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M.
Deposit date:2020-02-27
Release date:2020-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
To Be Published
6PY2
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BU of 6py2 by Molmil
HLA-TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2.2-glut-L1, GLYCEROL, ...
Authors:Ting, Y.T, Peteren, J, Reid, H.H, Rossjohn, J.
Deposit date:2019-07-28
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.82543421 Å)
Cite:A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease.
Proc.Natl.Acad.Sci.USA, 117, 2020
7O1M
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BU of 7o1m by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A, beta-C92A mutant
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2021-03-29
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
J.Struct.Biol., 213, 2021
8C9T
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BU of 8c9t by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis
Descriptor: GLYCEROL, Putative O-methyltransferase
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-30
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
5B83
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BU of 5b83 by Molmil
Crystal structure of Optineurin UBAN in complex with linear ubiquitin
Descriptor: Optineurin, tetra ubiquitin
Authors:Ishii, R, Nureki, O.
Deposit date:2016-06-12
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Linear ubiquitination is involved in the pathogenesis of optineurin-associated amyotrophic lateral sclerosis
Nat Commun, 7, 2016
7TLO
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BU of 7tlo by Molmil
X-ray crystal structure of substrate free cytochrome P450 CYP142A3 from Mycobacterium Marinum
Descriptor: ACETATE ION, Cytochrome P450 142A3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghith, A, Bruning, J.B, Bell, S.G.
Deposit date:2022-01-18
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
Descriptor: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8C9V
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BU of 8c9v by Molmil
O-methyltransferase from Desulfuromonas acetoxidans
Descriptor: MAGNESIUM ION, O-methyltransferase, family 3
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
6BJB
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BU of 6bjb by Molmil
Crystal structure of Acat2-C91S thiolase from Ascaris suum in complex with propionyl-CoA and nitrate
Descriptor: Acetyl-CoA acetyltransferase A, NITRATE ION, propionyl Coenzyme A
Authors:Blaisse, M.R, Fu, B, Chang, M.C.Y.
Deposit date:2017-11-05
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.50000632 Å)
Cite:Structural and Biochemical Studies of Substrate Selectivity in Ascaris suum Thiolases.
Biochemistry, 57, 2018
8RMW
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BU of 8rmw by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.
Descriptor: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
Authors:Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
Deposit date:2024-01-09
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
7TSM
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BU of 7tsm by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine bishydrochloride
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
6NK0
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BU of 6nk0 by Molmil
EphA2 LBD in complex with bA-WLA-Yam peptide
Descriptor: 1,2-ETHANEDIOL, 6-AMINOHEXANOIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2019-01-04
Release date:2019-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
6WAT
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BU of 6wat by Molmil
complex structure of PHF1
Descriptor: Histone H3.1t peptide, PHD finger protein 1, UNKNOWN ATOM OR ION
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6NBR
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BU of 6nbr by Molmil
Crystal Structure of Piper methysticum Kavalactone Reductase 1 in complex with NADP
Descriptor: Kavalactone reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pluskal, T, Weng, J.K.
Deposit date:2018-12-09
Release date:2019-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The biosynthetic origin of psychoactive kavalactones in kava.
Nat.Plants, 5, 2019
7TPN
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BU of 7tpn by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (11 mM KSeCN)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
Authors:Buscagan, T.M, Kaiser, J.T, Rees, D.C.
Deposit date:2022-01-25
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
6W5K
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BU of 6w5k by Molmil
1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g
Descriptor: 3C-LIKE PROTEASE, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
Deposit date:2020-03-13
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
Descriptor: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-02
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6NC7
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BU of 6nc7 by Molmil
Lipid II flippase MurJ, inward open conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, SULFATE ION
Authors:Kuk, A.C.Y, Lee, S.-Y.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
7X1X
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BU of 7x1x by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+
Descriptor: 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Mahto, J.K, Kumar, P.
Deposit date:2022-02-24
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022

224004

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