7XIX
 
 | | SARS-CoV-2 Omicron BA.2 variant spike (state 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XNQ
 | | SARS-CoV-2 Omicron BA.4 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-13 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XIY
 | | SARS-CoV-2 Omicron BA.3 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XIW
 | | SARS-CoV-2 Omicron BA.2 variant spike (state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XIZ
 | | SARS-CoV-2 Omicron BA.3 variant spike (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XNR
 | | SARS-CoV-2 Omicron BA.2.13 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-13 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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3RWL
 | | Structure of P450pyr hydroxylase | | Descriptor: | Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pompidor, G. | | Deposit date: | 2011-05-09 | | Release date: | 2012-04-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom.
Chem.Commun.(Camb.), 48, 2012
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7PUE
 | | Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a | | Descriptor: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1 | | Authors: | Dreyer, M.K, Halland, N, Nazare, M. | | Deposit date: | 2021-09-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
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6LT0
 | | cryo-EM structure of C9ORF72-SMCR8-WDR41 | | Descriptor: | Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41 | | Authors: | Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S. | | Deposit date: | 2020-01-21 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LMK
 | | Cryo-EM structure of the human glucagon receptor in complex with Gs | | Descriptor: | Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B. | | Deposit date: | 2019-12-26 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
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9BT9
 | | Cryo-EM Structure of HKU1 spike D1 Domain (Active state, locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BT1
 | | Cryo-EM structure of HCoV-HKU1 glycoprotein in complex with 9O-acetyl GD3 sialoglycan (UUU state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.22 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BTD
 | | Cryo-EM structure of HCoV-HKU1 glycoprotein in complex with 9O-acetyl GD3 sialoglycan (DDA state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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8WTS
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-10-19 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A novel, covalent broad-spectrum inhibitor targeting human coronavirus M pro.
Nat Commun, 16, 2025
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6LZZ
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a | | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Huang, Y.Y, Wu, Y, Luo, H.B. | | Deposit date: | 2020-02-19 | | Release date: | 2021-02-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.40003753 Å) | | Cite: | Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
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9D11
 | | Smarca2 Bromodomain in complex with compound 22 | | Descriptor: | (12'S)-4'-chloro-10'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2024-08-07 | | Release date: | 2025-01-15 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Discovery of High-Affinity SMARCA2/4 Bromodomain Ligands and Development of Potent and Exceptionally Selective SMARCA2 PROTAC Degraders.
J.Med.Chem., 68, 2025
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9D12
 | | Smarca2 Bromodomain in complex with compound 15 | | Descriptor: | (12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one, ACETATE ION, Isoform Short of Probable global transcription activator SNF2L2, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2024-08-07 | | Release date: | 2025-01-15 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Discovery of High-Affinity SMARCA2/4 Bromodomain Ligands and Development of Potent and Exceptionally Selective SMARCA2 PROTAC Degraders.
J.Med.Chem., 68, 2025
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9E5F
 | | Discovery of an Orally Bioavailable KRAS G12D Inhibitor | | Descriptor: | (4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Deller, M.C, Epling, L.B. | | Deposit date: | 2024-10-28 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor.
J.Med.Chem., 68, 2025
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9E5D
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9BT2
 | | Cryo-EM structure of HCoV-HKU1 glycoprotein D1 (Down State, locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (1.93 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BTA
 | | Cryo-EM density map of HKU1 spike glycoprotein D1 domain in complex with 9O-acetyl GD3 sialoglycan (Down_alt state, locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BTB
 | | Cryo-EM density map of HKU1 spike glycoprotein D1 domain in complex with 9O-acetyl GD3 sialoglycan (Active state, locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BSX
 | | Cryo-EM structure of HCoV-HKU1 glycoprotein in complex with 9O-acetyl GD3 sialoglycan (DAA state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BTC
 | | Cryo-EM density map of HKU1 spike glycoprotein D1 domain in complex with 9O-acetyl GD3 sialoglycan (Up state, locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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9BSY
 | | Cryo-EM structure of HCoV-HKU1 glycoprotein in complex with 9O-acetyl GD3 sialoglycan (DAU state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ... | | Authors: | Jin, M, Rini, J.M. | | Deposit date: | 2024-05-14 | | Release date: | 2025-05-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025
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