8J98
 
 | | A near-infrared fluorescent protein of de novo backbone design | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Hu, X, Xu, Y. | | Deposit date: | 2023-05-02 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
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6WE3
 | | Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
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7SAX
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7ROC
 | | Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 7 | | Descriptor: | major capsid protein | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-30 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
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8IMK
 | | D3-D4, D1-D2, D'3-D'4, D'1-D'2 cylinder in cyanobacterial phycobilisome from Anthocerotibacter panamensis (Cluster C) | | Descriptor: | ApcA1, ApcA2, ApcB1, ... | | Authors: | Wang, C.H, Yang, C.H, Wu, H.Y, Jiang, H.W, Ho, M.C, Ho, M.Y. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | A structure of the relict phycobilisome from a thylakoid-free cyanobacterium.
Nat Commun, 14, 2023
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5KHG
 | | HCN2 CNBD in complex with cytidine-3', 5'-cyclic monophosphate (cCMP) | | Descriptor: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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6WE2
 | | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
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9BFR
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6WCU
 | | Crystal structure of coiled coil region of human septin 5 | | Descriptor: | Septin-5 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-31 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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7ROI
 | | Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 12 | | Descriptor: | major capsid protein | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-30 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
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8IT0
 | | Cryo-EM structure of Crt-SPARTA-gRNA-tDNA dimer (conformation-2) | | Descriptor: | DNA (45-mer), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*GP*GP*UP*AP*GP*UP*AP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*U)-3'), ... | | Authors: | Gao, X, Shang, K, Zhu, K, Wang, L, Mu, Z, Fu, X, Yu, X, Qin, B, Zhu, H, Ding, W, Cui, S. | | Deposit date: | 2023-03-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Nucleic-acid-triggered NADase activation of a short prokaryotic Argonaute.
Nature, 625, 2024
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8ITM
 | | Cryo-EM structure of GIPR splice variant 2 (SV2) in complex with Gs protein | | Descriptor: | Gastric inhibitory polypeptide receptor, 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: | Zhao, F.H, Hang, K.N, Zhou, Q.T, Shao, L.J, Li, H, Li, W.Z, Lin, S, Dai, A.T, Cai, X.Q, Liu, Y.Y, Xu, Y.N, Feng, W.B, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-03-22 | | Release date: | 2023-10-18 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Molecular basis of signal transduction mediated by the human GIPR splice variants.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7S4L
 | | CryoEM structure of Methylotuvimicrobium alcaliphilum 20Z pMMO in a POPC nanodisc at 2.46 Angstrom resolution | | Descriptor: | (S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, COPPER (II) ION, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-30 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
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6WZS
 | | Fusibacterium ulcerans ZTP riboswitch bound to m-1-pyridinyl AICA | | Descriptor: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | Authors: | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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8IVU
 | | Crystal Structure of Human NAMPT in complex with A4276 | | Descriptor: | N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Kang, B.G, Cha, S.S. | | Deposit date: | 2023-03-28 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09000921 Å) | | Cite: | Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
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7RO5
 | | Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 4 | | Descriptor: | major capsid protein | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-30 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
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6WZR
 | | Fusibacterium ulcerans ZTP riboswitch bound to p-1-pyridinyl AICA | | Descriptor: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | Authors: | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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8J83
 | | Crystal structure of formate dehydrogenase from Methylorubrum extorquens AM1 | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Kobayashi, A, Taketa, M, Sowa, K, Kano, K, Higuchi, Y, Ogata, H. | | Deposit date: | 2023-04-29 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and function relationship of formate dehydrogenases: an overview of recent progress.
Iucrj, 10, 2023
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8IFQ
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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7S4I
 | | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.26 Angstrom resolution | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
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7ROD
 | | Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 8 | | Descriptor: | major capsid protein | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-30 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
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8IFS
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | | Descriptor: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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6WSM
 | | Crystal structure of coiled coil region of human septin 8 | | Descriptor: | SULFATE ION, Septin-8 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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8IM2
 | | Crystal structure of human HPPD complexed with NTBC | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ... | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2023-03-05 | | Release date: | 2023-10-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
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7RO2
 | | Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 1 | | Descriptor: | major capsid protein | | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-30 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
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