7SUS
 
 | | Crystal structure of Apelin receptor in complex with small molecule | | Descriptor: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | | Authors: | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | | Deposit date: | 2021-11-18 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
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6VIY
 | | BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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3CID
 | | Structure of BACE Bound to SCH726222 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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5ZND
 | | 8-mer nanotube derived from 24-mer rHuHF nanocage | | Descriptor: | Ferritin heavy chain | | Authors: | Wang, W.M, Wang, L.L, Zang, J.C, Chen, H, Zhao, G.H, Wang, H.F. | | Deposit date: | 2018-04-09 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Selective Elimination of the Key Subunit Interfaces Facilitates Conversion of Native 24-mer Protein Nanocage into 8-mer Nanorings.
J. Am. Chem. Soc., 140, 2018
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5TOZ
 | | JAK3 with covalent inhibitor PF-06651600 | | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-10-19 | | Release date: | 2016-11-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
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8XJV
 | | Structural basis for the linker histone H5-nucleosome binding and chromatin compaction | | Descriptor: | DNA, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, W.Y, Song, F, Zhu, P. | | Deposit date: | 2023-12-22 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for linker histone H5-nucleosome binding and chromatin fiber compaction.
Cell Res., 34, 2024
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7XAZ
 | | Crystal structure of Omicron BA.1.1 RBD complexed with hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Liao, H, Meng, Y, Li, W. | | Deposit date: | 2022-03-19 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
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7XB1
 | | Crystal structure of Omicron BA.3 RBD complexed with hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, W, Meng, Y, Liao, H. | | Deposit date: | 2022-03-19 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
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7FDG
 | | SARS-COV-2 Spike RBDMACSp6 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDK
 | | SARS-COV-2 Spike RBDMACSp36 binding to mACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDH
 | | SARS-COV-2 Spike RBDMACSp25 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDI
 | | SARS-COV-2 Spike RBDMACSp36 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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4OCH
 | | Apo structure of Smr domain of MutS2 from Deinococcus radiodurans | | Descriptor: | Endonuclease MutS2, GLYCEROL | | Authors: | Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J. | | Deposit date: | 2014-01-09 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4001 Å) | | Cite: | Structural and functional studies of MutS2 from Deinococcus radiodurans.
Dna Repair, 21, 2014
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6M02
 | | cryo-EM structure of human Pannexin 1 channel | | Descriptor: | Pannexin-1 | | Authors: | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-25 | | Last modified: | 2020-05-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
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6J07
 | | Crystal structure of human TERB2 and TERB1 | | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION | | Authors: | Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M. | | Deposit date: | 2018-12-21 | | Release date: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (3.298 Å) | | Cite: | The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
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7EAK
 | | Echovirus3 full particle in complex with 5G3 fab | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAJ
 | | Echovirus3 empty expanded particle in complex with 5G3 fab | | Descriptor: | VP0, VP1, VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAH
 | | Echovirus3 empty expanded particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAI
 | | Echovirus3 empty compacted particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | Descriptor: | cystine knot (fluoropropylated) | | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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7DX4
 | | The structure of FC08 Fab-hA.CE2-RBD complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ... | | Authors: | Cao, L, Wang, X. | | Deposit date: | 2021-01-18 | | Release date: | 2021-04-21 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
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7D4G
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6KE4
 | | ABloop reengineered Ferritin Nanocage | | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | | Authors: | Wang, W.M, Wang, H.F. | | Deposit date: | 2019-07-03 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
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8X77
 | | Enterovirus proteinase with host factor | | Descriptor: | 2A protein, Actin-histidine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gao, X, Cui, S. | | Deposit date: | 2023-11-23 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
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