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Legacy flatfile-incompatible PDB entries
9IIX
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BU of 9iix by Molmil
A Cryo-EM structure of Bitter taste receptor TAS2R14 with Ggust
Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yuan, Q, Duan, J, Tao, L, Xu, E.H.
Deposit date:2024-06-21
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 2024
9IJ9
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A Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex
Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Duan, J, Tao, L, Xu, E.H.
Deposit date:2024-06-21
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 2024
9IJA
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BU of 9ija by Molmil
A local Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex
Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Taste receptor type 2 member 14
Authors:Yuan, Q, Duan, J, Tao, L, Xu, E.H.
Deposit date:2024-06-21
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 2024
9IJC
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BU of 9ijc by Molmil
Crystal structure of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica
Descriptor: GH16 domain-containing protein
Authors:Chang, Y, Chen, F.
Deposit date:2024-06-22
Release date:2024-07-17
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Insights into the Substrate Recognition and Catalytic Mechanism of a GH16 beta kappa-Carrageenase from Wenyingzhuangia fucanilytica.
J.Agric.Food Chem., 72, 2024
9IK1
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BU of 9ik1 by Molmil
Cryo-EM structure of the human P2X3 receptor-compound 26a complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C.
Deposit date:2024-06-26
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy.
J.Med.Chem., 67, 2024
9IK2
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BU of 9ik2 by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109
Descriptor: 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X.
Deposit date:2024-06-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities
To Be Published
9IMP
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The complex of PDZ3 and PBM
Descriptor: INSC spindle orientation adaptor protein, Partitioning defective 3 homolog
Authors:Huang, S.J.
Deposit date:2024-07-04
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:mInsc coordinates Par3 and NuMA condensates for assembly of the spindle orientation machinery in asymmetric cell division.
Int.J.Biol.Macromol., 279, 2024
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Zhang, L.Y.
Deposit date:2024-07-08
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
9INT
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BU of 9int by Molmil
Crystal structure of the complex of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica with an oligosaccharide of furcellaran
Descriptor: 3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose, GH16 domain-containing protein
Authors:Chang, Y, Chen, F.
Deposit date:2024-07-08
Release date:2024-07-17
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Insights into the Substrate Recognition and Catalytic Mechanism of a GH16 beta kappa-Carrageenase from Wenyingzhuangia fucanilytica.
J.Agric.Food Chem., 72, 2024
9INW
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BU of 9inw by Molmil
Crystal structure of DAPK1 in complex with compound 9
Descriptor: (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION
Authors:Yokoyama, T.
Deposit date:2024-07-08
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
9INX
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BU of 9inx by Molmil
Crystal structure of DAPK1 in complex with compound 10
Descriptor: (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION
Authors:Yokoyama, T.
Deposit date:2024-07-08
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
9INY
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BU of 9iny by Molmil
Structure of bacteriophage T5 tail tube
Descriptor: Tail tube protein pb6
Authors:Peng, Y.N, Liu, H.R.
Deposit date:2024-07-08
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
9IOZ
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BU of 9ioz by Molmil
Structure of the bacteriophage T5 tail tip complex
Descriptor: Baseplate hub protein pb3, Baseplate tube protein p140, Distal tail protein pb9
Authors:Peng, Y.N, Liu, H.R.
Deposit date:2024-07-10
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
9IUK
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BU of 9iuk by Molmil
The structure of Candida albicans Cdr1 in apo state
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUL
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BU of 9iul by Molmil
The structure of Candida albicans Cdr1 in fluconazole-bound state
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-23
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUM
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BU of 9ium by Molmil
The structure of Candida albicans Cdr1 in milbemycin oxime-inhibited state
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1, milbemycin oxime
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9J0U
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BU of 9j0u by Molmil
Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in F 41 3 2 space group
Descriptor: Dat: predicted D-alanine aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M.
Deposit date:2024-08-03
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
To Be Published
9J4G
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BU of 9j4g by Molmil
Crystal structure of SHMT from E. faecium with (+)-SHIN-2
Descriptor: (+)-SHIN-2, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Hayashi, H, Murayama, K.
Deposit date:2024-08-09
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:SHIN-2 exerts potent activity against VanA-type vancomycin-resistant Enterococcus faecium in vitro by stabilizing the active site loop of serine hydroxymethyltransferase.
Arch.Biochem.Biophys., 761, 2024
9J4L
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BU of 9j4l by Molmil
Crystal structure of GH9l Inulin fructotransferases (IFTase)
Descriptor: DFA-III-forming inulin fructotransferase
Authors:Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M.
Deposit date:2024-08-09
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024

225946

건을2024-10-09부터공개중

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