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8HW2
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BU of 8hw2 by Molmil
Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs
Descriptor: ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HVH
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BU of 8hvh by Molmil
Cryo-EM structure of ABC transporter ABCC3
Descriptor: ATP-binding cassette sub-family C member 3
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-26
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
Authors:Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
Deposit date:2022-08-15
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
Descriptor: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
Authors:Song, G, Xu, S.
Deposit date:2022-08-06
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
8FLM
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BU of 8flm by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53
Descriptor: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ...
Authors:Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
8FLK
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BU of 8flk by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2
Descriptor: 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP
Authors:Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
Descriptor: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D24
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BU of 8d24 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008
Descriptor: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D20
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BU of 8d20 by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with 5'-Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D22
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BU of 8d22 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with Piclidenoson
Descriptor: Chaperone DnaK, Piclidenoson, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
Descriptor: Glycoprotein,Glycoprotein,Glycoprotein
Authors:Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
Deposit date:2019-12-06
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
6LS9
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BU of 6ls9 by Molmil
Crystal structure of bovine herpesvirus 1 glycoprotein D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
5YN6
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BU of 5yn6 by Molmil
Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM
Descriptor: S-ADENOSYLMETHIONINE, ZINC ION, nsp10 protein, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ...
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
7N64
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BU of 7n64 by Molmil
SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G32R7 Fab heavy chain, ...
Authors:Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C.
Deposit date:2021-06-07
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
7N62
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BU of 7n62 by Molmil
SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ...
Authors:Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C.
Deposit date:2021-06-07
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
7ACF
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BU of 7acf by Molmil
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D.
Deposit date:2020-09-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
Descriptor: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2022-09-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
6AKL
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BU of 6akl by Molmil
Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain
Descriptor: Striatin-3, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKK
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BU of 6akk by Molmil
Crystal structure of the second Coiled-coil domain of SIKE1
Descriptor: GLYCEROL, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKM
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BU of 6akm by Molmil
Crystal structure of SLMAP-SIKE1 complex
Descriptor: GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1
Authors:Ma, J, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
6L2P
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BU of 6l2p by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in the apo form
Descriptor: Threonine--tRNA ligase, ZINC ION
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2019-10-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
6L2Q
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BU of 6l2q by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2019-10-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
8EUF
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BU of 8euf by Molmil
Class2 of the INO80-Nucleosome complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023

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