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8IHF
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BU of 8ihf by Molmil
Cryo-EM structure of HCA2-Gi complex with MK6892
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHJ
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BU of 8ihj by Molmil
Cryo-EM structure of HCA3-Gi complex with acifran
Descriptor: (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, 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:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHB
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BU of 8ihb by Molmil
Cryo-EM structure of HCA2-Gi complex with GSK256073
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-09-13
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8WWB
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BU of 8wwb by Molmil
The sigma-1 receptor from Xenopus laevis in complex with dehydroepiandrosterone sulfate by soaking (I432 form)
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Sigma non-opioid intracellular receptor 1
Authors:Fu, C, Sun, Z, Zhou, X.
Deposit date:2023-10-25
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor.
Nat Commun, 15, 2024
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
Descriptor: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-07
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWJ
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BU of 8hwj by Molmil
Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWI
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BU of 8hwi by Molmil
Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8IJA
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BU of 8ija by Molmil
Cryo-EM structure of human HCAR2-Gi complex with niacin
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pan, X, Fang, Y.
Deposit date:2023-02-26
Release date:2024-01-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8IJD
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BU of 8ijd by Molmil
Cryo-EM structure of human HCAR2-Gi complex with MK-6892
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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:Pan, X, Fang, Y.
Deposit date:2023-02-27
Release date:2024-01-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8IJB
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BU of 8ijb by Molmil
Cryo-EM structure of human HCAR2-Gi complex with acipimox
Descriptor: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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:Pan, X, Fang, Y.
Deposit date:2023-02-27
Release date:2024-01-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8HY8
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BU of 8hy8 by Molmil
Bacterial STING from Epilithonimonas lactis
Descriptor: CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.568 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HY9
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BU of 8hy9 by Molmil
Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.462 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
4JSO
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BU of 4jso by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with laminaripentaose
Descriptor: CALCIUM ION, Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, ...
Authors:Munshi, P, Cuneo, M.J.
Deposit date:2013-03-22
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Bmc Struct.Biol., 13, 2013
3VM6
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BU of 3vm6 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate
Descriptor: 1,5-di-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Nakamura, A, Fujihashi, M, Aono, R, Sato, T, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K.
Deposit date:2011-12-08
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
J.Biol.Chem., 287, 2012
4AC4
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BU of 4ac4 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18
Descriptor: 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-13
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4FFE
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BU of 4ffe by Molmil
The structure of cowpox virus CPXV018 (OMCP)
Descriptor: CPXV018 protein
Authors:Lazear, E, Peterson, L.W, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-06-01
Release date:2012-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Cowpox Virus-Encoded NKG2D Ligand OMCP.
J.Virol., 87, 2013
3PBF
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BU of 3pbf by Molmil
Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol
Descriptor: CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A
Authors:Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
5OB7
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BU of 5ob7 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OB9
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BU of 5ob9 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
1AKL
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BU of 1akl by Molmil
ALKALINE PROTEASE FROM PSEUDOMONAS AERUGINOSA IFO3080
Descriptor: ALKALINE PROTEASE, CALCIUM ION, ZINC ION
Authors:Miyatake, H, Hata, Y, Fujii, T, Hamada, K, Morihara, K, Katsube, Y.
Deposit date:1995-09-16
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the unliganded alkaline protease from Pseudomonas aeruginosa IFO3080 and its conformational changes on ligand binding.
J.Biochem.(Tokyo), 118, 1995
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
7L22
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BU of 7l22 by Molmil
Structure of chloride soak form of ArrX from Chrysiogenes arsenatis
Descriptor: ArrX, SULFATE ION
Authors:Maher, M.J, Poddar, N.
Deposit date:2020-12-16
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structural and Functional Investigation of the Periplasmic Arsenate-Binding Protein ArrX from Chrysiogenes arsenatis .
Biochemistry, 60, 2021
8YBB
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BU of 8ybb by Molmil
Crystal structure of the sigma-1 receptor from Xenopus laevis with side opening
Descriptor: Sigma non-opioid intracellular receptor 1
Authors:Xiao, Y, Fu, C, Sun, Z, Zhou, X.
Deposit date:2024-02-12
Release date:2024-07-17
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor.
Nat Commun, 15, 2024
4JSD
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BU of 4jsd by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with laminaribiose
Descriptor: CALCIUM ION, Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, ...
Authors:Munshi, P, Cuneo, M.J.
Deposit date:2013-03-22
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Bmc Struct.Biol., 13, 2013
3O3U
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BU of 3o3u by Molmil
Crystal Structure of Human Receptor for Advanced Glycation Endproducts (RAGE)
Descriptor: Maltose-binding periplasmic protein, Advanced glycosylation end product-specific receptor, SULFATE ION, ...
Authors:Park, H, Boyington, J.C.
Deposit date:2010-07-26
Release date:2010-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:The 1.5 A crystal structure of human receptor for advanced glycation endproducts (RAGE) ectodomains reveals unique features determining ligand binding.
J.Biol.Chem., 285, 2010

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