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7AE7
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BU of 7ae7 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form, with truncated ShVdcD (V59X)
Descriptor: Phenolic acid decarboxylase, Protein ShdD, SODIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
7JMD
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BU of 7jmd by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 1
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-07-31
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7AE4
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BU of 7ae4 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
8OPC
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BU of 8opc by Molmil
Virus-like Particle based on PVY coat protein with helical architecture encapsidating ssRNA
Descriptor: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
7SLF
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BU of 7slf by Molmil
[T:Ag+:T--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.83 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7AAQ
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BU of 7aaq by Molmil
sugar/H+ symporter STP10 in outward occluded conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Bavnhoej, L, Paulsen, P.A, Pedersen, B.P.
Deposit date:2020-09-04
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
8OPJ
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BU of 8opj by Molmil
Global refinement of cubic assembly from truncated PVY coat protein with K176C mutation
Descriptor: Genome polyprotein (Fragment)
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
7S9J
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BU of 7s9j by Molmil
Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
2YDG
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BU of 2ydg by Molmil
Ascorbate co-crystallized HEWL.
Descriptor: ASCORBIC ACID, Lysozyme C, SODIUM ION
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-19
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
7PG4
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BU of 7pg4 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3
Descriptor: Insulin, Isoform Short of Insulin receptor
Authors:Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
Deposit date:2021-08-12
Release date:2022-02-02
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
8OOX
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BU of 8oox by Molmil
Glutamine synthetase from Methermicoccus shengliensis at a resolution of 3.09 A
Descriptor: CITRIC ACID, GLYCEROL, Glutamine synthetase, ...
Authors:Mueller, M.-C, Lemaire, O.N, Wagner, T.
Deposit date:2023-04-06
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations.
Commun Biol, 7, 2024
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
3H9E
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BU of 3h9e by Molmil
Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD and phosphate
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ...
Authors:Chaikuad, A, Shafqat, N, Yue, W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS.
Biochem.J., 435, 2011
8OPG
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BU of 8opg by Molmil
Virus-like Particle based on PVY coat protein with dC79 deletion with RNA-free helical architecture
Descriptor: Genome polyprotein (Fragment)
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
2Y9T
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BU of 2y9t by Molmil
Structural basis of p63a SAM domain mutants involved in AEC syndrome
Descriptor: TUMOR PROTEIN 63
Authors:Sathyamurthy, A, Freund, S.M.V, Johnson, C.M, Allen, M.D.
Deposit date:2011-02-16
Release date:2011-08-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of P63Alpha Sam Domain Mutants Involved in Aec Syndrome.
FEBS J., 278, 2011
2Y95
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BU of 2y95 by Molmil
Solution structure of AUCG tetraloop hairpin found in human Xist RNA A-repeats essential for X-inactivation
Descriptor: 5'-R(*GP*GP*CP*GP*CP*AP*UP*CP*GP*GP*CP*GP*CP*C)-3'
Authors:Duszczyk, M.M, Sattler, M.
Deposit date:2011-02-11
Release date:2011-10-26
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Xist RNA A-Repeat Comprises a Novel Aucg Tetraloop Fold and a Platform for Multimerization.
RNA, 17, 2011
7S9P
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BU of 7s9p by Molmil
Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP analog
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J, Smith, M.R.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7PV9
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BU of 7pv9 by Molmil
Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
Descriptor: Internalin B
Authors:Geerds, C, Niemann, H.H.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7PDB
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BU of 7pdb by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone
Descriptor: Acetylcholine-binding protein, Flupyradifurone
Authors:Montgomery, M.G.
Deposit date:2021-08-05
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
2M57
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BU of 2m57 by Molmil
NMR solution structure of domain 5 from Azotobacter vinelandii Intron 5 at pH 7.8
Descriptor: RNA_(35-MER)
Authors:Pechlaner, M, Donghi, D, Zelenay, V, Sigel, R.K.O.
Deposit date:2013-02-15
Release date:2014-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Acid-base equilibria near neutral pH in the catalytic triad and the bulge of domain 5 of a bacterial group II intron
To be Published
8OPU
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BU of 8opu by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
7PDR
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BU of 7pdr by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz
Descriptor: 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione, Acetylcholine-binding protein
Authors:Montgomery, M.G.
Deposit date:2021-08-06
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7PE5
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BU of 7pe5 by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim
Descriptor: 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate, Acetylcholine-binding protein
Authors:Montgomery, M.G.
Deposit date:2021-08-09
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Descriptor: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
Authors:Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023

224004

數據於2024-08-21公開中

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