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8SBC
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BU of 8sbc by Molmil
Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors
Descriptor: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A, Tang, J.
Deposit date:2023-04-03
Release date:2023-07-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
7C7E
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BU of 7c7e by Molmil
Crystal structure of C terminal domain of Escherichia coli DgoR
Descriptor: Putative DNA-binding transcriptional regulator, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Lin, W.
Deposit date:2020-05-25
Release date:2021-01-20
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Structural and Functional Analyses of the Transcription Repressor DgoR From Escherichia coli Reveal a Divalent Metal-Containing D-Galactonate Binding Pocket.
Front Microbiol, 11, 2020
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of FC05 Fab, ...
Authors:Wang, L, Wang, X.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
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, N.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CWT
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BU of 7cwt by Molmil
SARS-CoV-2 Spike protein in complex with hb27 and fc05 Fab cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
Authors:Cui, Z, Wang, X.
Deposit date:2020-08-31
Release date:2021-06-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7D3B
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BU of 7d3b by Molmil
flavone reductase
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3A
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BU of 7d3a by Molmil
flavone reductase
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D39
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BU of 7d39 by Molmil
FLR-apo
Descriptor: Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D38
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BU of 7d38 by Molmil
flavone reductase
Descriptor: Cd1, FLAVIN MONONUCLEOTIDE, chrysin
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7DST
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BU of 7dst by Molmil
FMDV capsid in complex with M170 Nab
Descriptor: M170 Nab, VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, ...
Authors:Dong, H, Liu, P.
Deposit date:2021-01-02
Release date:2021-03-10
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
7DSS
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BU of 7dss by Molmil
Complex of FMDV and M8 Nab
Descriptor: M8 Nab, VP1 of O type FMDV capsid, VP2 of O-type FMDV capsid, ...
Authors:Dong, H, Liu, P.
Deposit date:2021-01-02
Release date:2021-03-31
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
7E7D
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BU of 7e7d by Molmil
Cryo-EM structure of the SARS-CoV-2 wild-type S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-OCTADECENOIC ACID, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
7EG4
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BU of 7eg4 by Molmil
Cryo-EM structure of nauclefine-induced PDE3A-SLFN12 complex
Descriptor: MAGNESIUM ION, Parvine, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-24
Release date:2021-09-29
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
7EG0
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BU of 7eg0 by Molmil
Cryo-EM structure of anagrelide-induced PDE3A-SLFN12 complex
Descriptor: 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one, MAGNESIUM ION, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-23
Release date:2021-09-29
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
7EG1
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BU of 7eg1 by Molmil
Cryo-EM structure of DNMDP-induced PDE3A-SLFN12 complex
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-23
Release date:2021-11-03
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
6L4S
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BU of 6l4s by Molmil
cryo-em structure of alpha-synuclein fiber mutation type E46K
Descriptor: Alpha-synuclein
Authors:Li, Y.W, Zhao, K, Liu, C, Li, X.
Deposit date:2019-10-21
Release date:2020-04-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Parkinson's disease associated mutation E46K of alpha-synuclein triggers the formation of a distinct fibril structure.
Nat Commun, 11, 2020
7WRW
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BU of 7wrw by Molmil
Structure of Deinococcus radiodurans HerA
Descriptor: HerA
Authors:Cheng, K.
Deposit date:2022-01-27
Release date:2023-02-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.00008273 Å)
Cite:Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
7WRX
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BU of 7wrx by Molmil
Structure of Deinococcus radiodurans HerA-ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HerA, MAGNESIUM ION
Authors:Cheng, K.
Deposit date:2022-01-27
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.40003562 Å)
Cite:Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
7XJP
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BU of 7xjp by Molmil
Cryo-EM structure of EDS1 and SAG101 with ATP-APDR
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ...
Authors:Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J.
Deposit date:2022-04-18
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
Descriptor: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XN9
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BU of 7xn9 by Molmil
Crystal structure of SSTR2 and L-054,522 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
5X62
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BU of 5x62 by Molmil
Crystal structure of a carnosine N-methyltransferase bound by AdoHcy
Descriptor: Carnosine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION
Authors:Xie, W, Liu, X.
Deposit date:2017-02-20
Release date:2017-07-26
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Substrate Recognition Mechanism of the Putative Yeast Carnosine N-methyltransferase
ACS Chem. Biol., 12, 2017
5YAC
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BU of 5yac by Molmil
Crystal structure of WT Trm5b from Pyrococcus abyssi
Descriptor: tRNA (guanine(37)-N1)-methyltransferase Trm5b
Authors:Xie, W, Wu, J.
Deposit date:2017-08-31
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of the Pyrococcus abyssi mono-functional methyltransferase PaTrm5b
Biochem. Biophys. Res. Commun., 493, 2017
6KVL
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BU of 6kvl by Molmil
Crystal structure of UDP-RebB-SrUGT76G1
Descriptor: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
Deposit date:2019-09-04
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020

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