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8H3U
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BU of 8h3u by Molmil
Inhibitor-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
8H3S
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BU of 8h3s by Molmil
Substrate-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain, Serine protease 1
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
8HFY
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BU of 8hfy by Molmil
SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
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, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFX
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BU of 8hfx by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2
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, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HG0
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BU of 8hg0 by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFZ
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BU of 8hfz by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2
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, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HR2
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BU of 8hr2 by Molmil
Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6
Descriptor: NB1B5, NB1C6, Spike protein S1
Authors:Sun, Z.
Deposit date:2022-12-14
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes.
J.Struct.Biol., 215, 2023
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
Descriptor: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P, Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
8XJM
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BU of 8xjm by Molmil
Latanoprost acid bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: Antibody fragment scFv16, Engineered miniGq, Fusion tag,Prostaglandin F2-alpha receptor,LgBiT, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJK
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BU of 8xjk by Molmil
Cloprosetnol bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJO
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BU of 8xjo by Molmil
U46619 bound Thromboxane A2 receptor-Gq Protein Complex
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJN
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BU of 8xjn by Molmil
Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJL
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BU of 8xjl by Molmil
PGF2-alpha bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
5WPI
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BU of 5wpi by Molmil
The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase
Descriptor: 1,2-ETHANEDIOL, HsvA
Authors:Shanker, S, Lawton, J.
Deposit date:2017-08-04
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase.
J. Biol. Chem., 292, 2017
8FLP
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BU of 8flp by Molmil
NMR Solution Structure of LvIC analogue
Descriptor: Alpha-conotoxin LvIC analogue
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2022-12-22
Release date:2023-02-08
Last modified:2023-02-22
Method:SOLUTION NMR
Cite:Discovery, Characterization, and Engineering of LvIC, an alpha 4/4-Conotoxin That Selectively Blocks Rat alpha 6/ alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 66, 2023
8D0A
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BU of 8d0a by Molmil
Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab
Descriptor: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ...
Authors:Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y.
Deposit date:2022-05-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:TBD
To Be Published
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
5YGU
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BU of 5ygu by Molmil
Crystal structure of Escherichia coli (strain K12) mRNA Decapping Complex RppH-DapF
Descriptor: Diaminopimelate epimerase, IODIDE ION, L(+)-TARTARIC ACID, ...
Authors:Wang, Q, Guan, Z.Y, Zhang, D.L, Zou, T.T, Yin, P.
Deposit date:2017-09-27
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:DapF stabilizes the substrate-favoring conformation of RppH to stimulate its RNA-pyrophosphohydrolase activity in Escherichia coli.
Nucleic Acids Res., 46, 2018
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
7CCB
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BU of 7ccb by Molmil
Crystal structure of the SPRY domain-containing protein 7 (SPRY7)
Descriptor: SPRY domain-containing protein 7
Authors:Yang, J, Kuang, Z.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the SPRY domain-containing protein 7 reveals unique structural features.
Biochem.Biophys.Res.Commun., 531, 2020
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
Deposit date:2016-09-12
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-24
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-23
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
5HX6
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BU of 5hx6 by Molmil
Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one
Descriptor: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016

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PDB entries from 2024-08-28

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