Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

6EGF
DownloadVisualize
BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
Descriptor: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
4ZFB
DownloadVisualize
BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZFA
DownloadVisualize
BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
5XB0
DownloadVisualize
BU of 5xb0 by Molmil
1.6 A crystal structure of peptidyl-prolyl cis-trans isomerase PPIase from Pseudomonas syringae pv. tomato str. DC3000 (PSPTO DC3000)
Descriptor: L(+)-TARTARIC ACID, Peptidyl-prolyl cis-trans isomerase
Authors:Zhang, H, Gao, Y, Li, M, Chang, W.
Deposit date:2017-03-15
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:1.6 A crystal structure of peptidyl-prolyl cis-trans isomerase PPIase from Pseudomonas syringae pv. tomato str. DC3000 (PSPTO DC3000)
To Be Published
4ZF6
DownloadVisualize
BU of 4zf6 by Molmil
Cytochrome P450 pentamutant from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
6PXN
DownloadVisualize
BU of 6pxn by Molmil
Human Casein Kinase 1 delta Tau mutant (R178C)
Descriptor: Casein kinase I isoform delta, SULFATE ION
Authors:Philpott, J.M, Tripathi, S.M, Partch, C.L.
Deposit date:2019-07-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
6TT0
DownloadVisualize
BU of 6tt0 by Molmil
Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor
Descriptor: (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M.
Deposit date:2019-12-22
Release date:2020-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.80003023 Å)
Cite:Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
5N4O
DownloadVisualize
BU of 5n4o by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule (E)-3-(p-tolyl)acrylic acid
Descriptor: (~{E})-3-(4-methylphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N52
DownloadVisualize
BU of 5n52 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2,3-dimethoxyphenyl)acrylic acid
Descriptor: (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
6U41
DownloadVisualize
BU of 6u41 by Molmil
1.7 angstrom structure of a pathogenic human Syt 1 C2B (D304G)
Descriptor: SULFATE ION, Synaptotagmin-1
Authors:Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B.
Deposit date:2019-08-22
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
5K8K
DownloadVisualize
BU of 5k8k by Molmil
Structure of the Haemophilus influenzae LpxH-lipid X complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ...
Authors:Cho, J, Lee, C.-J, Zhou, P.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
7EO3
DownloadVisualize
BU of 7eo3 by Molmil
X-ray structure analysis of beita-1,3-glucanase
Descriptor: 1,3-beta-glucanase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION
Authors:Wan, Q, Feng, J, Xu, S.
Deposit date:2021-04-21
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.141 Å)
Cite:Identification and structural analysis of a thermophilic beta-1,3-glucanase from compost
Bioresour Bioprocess, 8, 2021
6B5H
DownloadVisualize
BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
5GUV
DownloadVisualize
BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Ye, F, Chen, S.J.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5N5M
DownloadVisualize
BU of 5n5m by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium
Descriptor: Pimtide, Serine/threonine-protein kinase pim-1, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N9Z
DownloadVisualize
BU of 5n9z by Molmil
Rubisco from Thalassiosira hyalina
Descriptor: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Andersson, I, Valegard, K.
Deposit date:2017-02-27
Release date:2018-03-14
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structural and functional analyses of Rubisco from arctic diatom species reveal unusual posttranslational modifications.
J. Biol. Chem., 293, 2018
5KA6
DownloadVisualize
BU of 5ka6 by Molmil
HIV-1 gp41 variant Q552R and L555M resistance mutations
Descriptor: Transmembrane protein gp41
Authors:Bhardwaj, A, Khasnis, M.D, Halkidis, K, Root, M.J.
Deposit date:2016-06-01
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Receptor Activation of HIV-1 Env Leads to Asymmetric Exposure of the gp41 Trimer.
PLoS Pathog., 12, 2016
7VC7
DownloadVisualize
BU of 7vc7 by Molmil
The structure of beta-xylosidase from Phanerochaete chrysosporium(PcBxl3)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kojima, K, Sunagawa, N, Igarashi, K.
Deposit date:2021-09-01
Release date:2022-02-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Comparison of glycoside hydrolase family 3 beta-xylosidases from basidiomycetes and ascomycetes reveals evolutionarily distinct xylan degradation systems.
J.Biol.Chem., 298, 2022
5N50
DownloadVisualize
BU of 5n50 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(4-chlorophenyl)sulfanylacetohydrazide
Descriptor: 2-(4-chlorophenyl)sulfanylethanehydrazide, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5KQL
DownloadVisualize
BU of 5kql by Molmil
Co-crystal structure of LMW-PTP in complex with 2-oxo-1-phenyl-2-(phenylamino)ethanesulfonic acid
Descriptor: (1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
9B3S
DownloadVisualize
BU of 9b3s by Molmil
Crystal structure of casein kinase 1 delta 1 with tethered phosphorylated tail
Descriptor: Casein kinase I isoform delta
Authors:Harold, R.L, Yaitanes, N, Tripathi, S.T, Partch, C.L.
Deposit date:2024-03-20
Release date:2024-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Isoform-specific C-terminal phosphorylation drives autoinhibition of Casein kinase 1.
Proc.Natl.Acad.Sci.USA, 121, 2024
6KVI
DownloadVisualize
BU of 6kvi by Molmil
Crystal structure of UDP-SrUGT76G1
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
5YEQ
DownloadVisualize
BU of 5yeq by Molmil
The structure of Sac-KARI protein
Descriptor: 1,2-ETHANEDIOL, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
Authors:Ko, T.P, Chen, C.Y, Lin, K.F, Lin, B.L, Huang, C.H, Chiang, C.H, Horng, J.C, Tsai, M.D.
Deposit date:2017-09-19
Release date:2018-07-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:NADH/NADPH bi-cofactor-utilizing and thermoactive ketol-acid reductoisomerase from Sulfolobus acidocaldarius
Sci Rep, 8, 2018
6UAQ
DownloadVisualize
BU of 6uaq by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase from Amycolatopsis mediterranei (AmGH128_I)
Descriptor: GLYCEROL, Glyco_hydro_cc domain-containing protein, SODIUM ION
Authors:Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6B5I
DownloadVisualize
BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

242842

数据于2025-10-08公开中

PDB statisticsPDBj update infoContact PDBjnumon