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8PHX
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BU of 8phx by Molmil
Receiver Domain of the Hybrid Histidine Kinase Sln1 of Candida albicans
Descriptor: Histidine protein kinase SLN1, MAGNESIUM ION
Authors:Paredes-Martinez, F, Casino, P.
Deposit date:2023-06-20
Release date:2024-07-03
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and functional insights underlying recognition of histidine phosphotransfer protein in fungal phosphorelay systems.
Commun Biol, 7, 2024
8PHN
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BU of 8phn by Molmil
Receiver domain from hybrid Histidine Kinase 3 from Chaetomium thermophilum
Descriptor: MAGNESIUM ION, SULFATE ION, histidine kinase
Authors:Paredes-Martinez, F, Casino, P.
Deposit date:2023-06-20
Release date:2024-07-03
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional insights underlying recognition of histidine phosphotransfer protein in fungal phosphorelay systems.
Commun Biol, 7, 2024
8JSP
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BU of 8jsp by Molmil
Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSO
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BU of 8jso by Molmil
AMPH-bound hTAAR1-Gs protein complex
Descriptor: (2S)-1-phenylpropan-2-amine, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8PI2
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BU of 8pi2 by Molmil
Native alpha-1-antitrypsin at 1.5 Angstrom (Cys232Ser)
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antitrypsin, DIMETHYL SULFOXIDE, ...
Authors:Wang, M, Irving, J.A.
Deposit date:2023-06-20
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
8PH7
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BU of 8ph7 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)(O2CCH3)3] in condition A
Descriptor: Lysozyme C, SODIUM ION, SUCCINIC ACID, ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8PH6
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BU of 8ph6 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8PH8
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BU of 8ph8 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition A
Descriptor: 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane, Lysozyme C, SODIUM ION, ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8PH5
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BU of 8ph5 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition B
Descriptor: 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8JS9
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BU of 8js9 by Molmil
Cryo-EM structure of SV2A in complex with BoNT/A2 Hc
Descriptor: 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, Botulinum neurotoxin, ...
Authors:Yamagata, A.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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BU of 8t72 by Molmil
Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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BU of 8t75 by Molmil
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8JS8
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BU of 8js8 by Molmil
Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and levetiracetam
Descriptor: (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide, 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:Yamagata, A.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
8T74
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BU of 8t74 by Molmil
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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BU of 8t73 by Molmil
Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8JRU
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BU of 8jru by Molmil
Cryo-EM structure of the glucagon receptor bound to beta-arrestin 1 in ligand-free state
Descriptor: Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, Nanobody 32, ...
Authors:Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-06-17
Release date:2023-08-16
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Tail engagement of arrestin at the glucagon receptor.
Nature, 620, 2023
8JRV
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BU of 8jrv by Molmil
Cryo-EM structure of the glucagon receptor bound to glucagon and beta-arrestin 1
Descriptor: Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), Glucagon, HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, ...
Authors:Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-06-17
Release date:2023-08-16
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tail engagement of arrestin at the glucagon receptor.
Nature, 620, 2023
8JRL
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BU of 8jrl by Molmil
Crystal structure of P450 TleB with an indole alkaloid
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Yan, W.P.
Deposit date:2023-06-17
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
8JR9
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BU of 8jr9 by Molmil
Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R)
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(s) subunit alpha-1, ...
Authors:Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E.
Deposit date:2023-06-16
Release date:2023-08-02
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Conserved class B GPCR activation by a biased intracellular agonist.
Nature, 621, 2023
8T6J
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BU of 8t6j by Molmil
CDPPB-bound inactive mGlu5
Descriptor: 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, Metabotropic glutamate receptor 5
Authors:Krishna Kumar, K, Wang, H, Kobilka, B.K.
Deposit date:2023-06-16
Release date:2023-10-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Stepwise activation of a metabotropic glutamate receptor.
Nature, 629, 2024
8T6K
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BU of 8t6k by Molmil
Cryo-EM structure of tetradecameric CaMKII beta holoenzyme T287A T306A T307A
Descriptor: Venus-tagged CaMKII Beta Holoenzyme mutant
Authors:Chien, C.-T, Chiu, W, Khan, S.
Deposit date:2023-06-16
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Hub stability in the calcium calmodulin-dependent protein kinase II.
Commun Biol, 7, 2024
8T6Q
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BU of 8t6q by Molmil
Cryo-EM structure of dodecameric CaMKII beta holoenzyme T287A T306A T307A
Descriptor: Venus-tagged CaMKII beta holoenzyme mutant
Authors:Chien, C.-T, Chiu, W, Khan, S.
Deposit date:2023-06-16
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Hub stability in the calcium calmodulin-dependent protein kinase II.
Commun Biol, 7, 2024
8PFV
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BU of 8pfv by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DAniF)(O2CCH3)3] in condition A
Descriptor: 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, CHLORIDE ION, Lysozyme C, ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-16
Release date:2023-07-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
8PFY
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BU of 8pfy by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DAniF)(CO3)3] in condition B
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Lysozyme C, ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-16
Release date:2023-07-19
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023

223532

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