7L8M
 
 | | Crystal structure of human GPX4-U46C mutant K48L | | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase | | Authors: | Forouhar, F, Liu, H, Seibt, T, Saneto, R, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
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7WD1
 | | Crystal structure of R14 bound to SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ... | | Authors: | Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
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7WD2
 | | Crystal structure of S43 bound to SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
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6ENK
 | | The X-ray crystal structure of DesE bound to desferrioxamine B | | Descriptor: | DesE, SODIUM ION, desferrioxamine B | | Authors: | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | | Deposit date: | 2017-10-05 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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3R91
 | | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | | Deposit date: | 2011-03-24 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
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3RKZ
 | | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. | | Descriptor: | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I. | | Deposit date: | 2011-04-18 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5693 Å) | | Cite: | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
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5ZZ8
 | | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | | Descriptor: | Major capsid protein, UL17, UL25, ... | | Authors: | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | | Deposit date: | 2018-05-31 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
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7V6H
 | | Crystal Structure of the SpnL | | Descriptor: | Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wu, H.-H, Ko, T.-P, Liu, H.-W, Tsai, M.-D. | | Deposit date: | 2021-08-20 | | Release date: | 2021-12-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.054 Å) | | Cite: | Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A.
J.Am.Chem.Soc., 143, 2021
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6AX3
 | | Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA) | | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ... | | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | | Deposit date: | 2017-09-06 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
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6AVS
 | | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
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3R92
 | | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. | | Descriptor: | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E.M, Levin, J.I. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5801 Å) | | Cite: | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
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5H0S
 | | EM Structure of VP1A and VP1B | | Descriptor: | VP1 | | Authors: | Li, X, Zhou, N, Xu, B, Chen, W, Zhu, B, Wang, X, Wang, J, Liu, H, Cheng, L. | | Deposit date: | 2016-10-06 | | Release date: | 2017-01-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Near-Atomic Resolution Structure Determination of a Cypovirus Capsid and Polymerase Complex Using Cryo-EM at 200kV
J. Mol. Biol., 429, 2017
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5YI3
 | | Structure of Lactococcus lactis ZitR, C30S mutant in complex with DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | | Deposit date: | 2017-10-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
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8J5G
 | | Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine 5'-diphosphate | | Descriptor: | Deoxyadenosine/deoxycytidine kinase, [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate | | Authors: | Ushimaru, R, Mori, T, Liu, H.-w, Abe, I. | | Deposit date: | 2023-04-22 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine 5'-diphosphate
To Be Published
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8J5H
 | | Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine | | Descriptor: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one, Deoxyadenosine/deoxycytidine kinase, NITRATE ION | | Authors: | Ushimaru, R, Mori, T, Liu, H.-w, Abe, I. | | Deposit date: | 2023-04-22 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine
To Be Published
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8J5E
 | | Crystal structure of kinase AbmG in complex with 4'-thiocytidine | | Descriptor: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one, Deoxyadenosine/deoxycytidine kinase | | Authors: | Ushimaru, R, Mori, T, Liu, H.-w, Abe, I. | | Deposit date: | 2023-04-22 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of kinase AbmG in complex with 4'-thiocytidine
To Be Published
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8J5F
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5YI2
 | | Structure of Lactococcus lactis ZitR, wild type in complex with DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | | Deposit date: | 2017-10-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
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5ZTL
 | | Non-cryogenic structure of light-driven chloride pump having an NTQ motif | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.H, Park, S.Y, Liu, H, Lee, W. | | Deposit date: | 2018-05-04 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
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6AB9
 | | The crystal structure of the relaxed state of Nonlabens marinus Rhodopsin 3 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.-H, Ohki, M, Park, J.-H, Jin, Z, Lee, W, Liu, H, Tame, J.R.H, Shibayama, N, Park, S.-Y. | | Deposit date: | 2018-07-20 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The pumping mechanism of NM-R3, a light-driven cyanobacterial chloride importer in the rhodopsin family
To Be Published
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6ABA
 | | The crystal structure of the photoactivated state of Nonlabens marinus Rhodopsin 3 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.-H, Ohki, M, Park, J.-H, Jin, Z, Lee, W, Liu, H, Tame, J.R.H, Shibayama, N, Park, S.-Y. | | Deposit date: | 2018-07-20 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | The pumping mechanism of NM-R3, a light-driven marine bacterial chloride importer in the rhodopsin family
To Be Published
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5YT7
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8HNC
 | | Cryo-EM structure of human OATP1B1 in complex with bilirubin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ... | | Authors: | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HND
 | | Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1, ... | | Authors: | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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5ZAP
 | | Atomic structure of the herpes simplex virus type 2 B-capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X. | | Deposit date: | 2018-02-08 | | Release date: | 2018-04-18 | | Last modified: | 2018-09-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom.
Science, 360, 2018
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