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6K7X
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BU of 6k7x by Molmil
Human MCU-EMRE complex
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhuo, W, Zhou, H, Yang, M.
Deposit date:2019-06-10
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
6KNI
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BU of 6kni by Molmil
Crystal structure of SbnH in complex with the cofactor PLP, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Probable diaminopimelate decarboxylase protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2019-08-05
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KNH
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BU of 6knh by Molmil
Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
Descriptor: CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2019-08-05
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KAG
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BU of 6kag by Molmil
Crystal structure of the SMARCB1/SMARCC2 subcomplex
Descriptor: SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Chen, G, Zhou, H, Giancotti, F.G, Long, J.
Deposit date:2019-06-22
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:A heterotrimeric SMARCB1-SMARCC2 subcomplex is required for the assembly and tumor suppression function of the BAF chromatin-remodeling complex.
Cell Discov, 6, 2020
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
Deposit date:2020-05-08
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
7C2Y
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BU of 7c2y by Molmil
The crystal structure of COVID-2019 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zhou, H, Hu, X.H, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-05-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:COVID-2019 main protease in the apo state
To Be Published
7CJY
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BU of 7cjy by Molmil
Drimenol synthase from Persicaria hydropiper
Descriptor: (-)-drimenol synthase
Authors:Xiao, W, Zhou, H, Zhou, M.T, Liu, L, Xiang, Z.
Deposit date:2020-07-14
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Studies of Drimenol Synthase from Persicaria hydropiper
To Be Published
7DR8
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BU of 7dr8 by Molmil
Crystal structure of MERS-CoV 3CL protease in spacegroup P212121
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-26
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.338149 Å)
Cite:Crystal structure of MERS-CoV 3CL protease in spacegroup P212121
To Be Published
7F42
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BU of 7f42 by Molmil
PARP15 catalytic domain in complex with Iniparib
Descriptor: 4-iodo-3-nitrobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PARP15 catalytic domain in complex with Iniparib
To Be Published
7F43
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BU of 7f43 by Molmil
PARP15 catalytic domain in complex with Niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PARP15 catalytic domain in complex with Niraparib
To Be Published
7VRB
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BU of 7vrb by Molmil
Structure of the Human BRG1/SS18 complex
Descriptor: SMARCA4 protein,Protein SSXT
Authors:Cheng, Y, Chen, F, Zhou, H, Long, J.
Deposit date:2021-10-22
Release date:2022-05-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:Phase transition and remodeling complex assembly are important for SS18-SSX oncogenic activity in synovial sarcomas.
Nat Commun, 13, 2022
7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
7WM7
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BU of 7wm7 by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION
Authors:Cai, Z, Chen, B, Yu, Y, Zhou, H.
Deposit date:2022-01-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7WMI
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BU of 7wmi by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
Authors:Cai, Z, Chen, B, Yu, Y, Zhou, H.
Deposit date:2022-01-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7WMF
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BU of 7wmf by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
Authors:Cai, Z, Chen, B, Yu, Y, Zhou, H.
Deposit date:2022-01-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7X25
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BU of 7x25 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab)
Descriptor: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
Authors:Zeng, J, Zhang, S, Zhou, H, Wang, X.
Deposit date:2022-02-25
Release date:2023-01-18
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7VRC
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BU of 7vrc by Molmil
Structure of the Yeast SNF11/SNF2 complex
Descriptor: Transcription regulatory protein SNF11, XXYS1_4_G0032080.mRNA.1.CDS.1
Authors:Cheng, Y, Chen, F, Zhou, H, Long, J.
Deposit date:2021-10-22
Release date:2022-05-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Structure of the Yeast SNF11/SNF2 complex
To Be Published
7CBG
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BU of 7cbg by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7CBH
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BU of 7cbh by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7C7M
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BU of 7c7m by Molmil
The structure of SAM-bound CntL, an aminobutyrate transferase in staphylopine biosysnthesis
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYLMETHIONINE, Staphylopine biosynthesis enzyme CntL
Authors:Luo, Z, Luo, S, Zhou, H.
Deposit date:2020-05-26
Release date:2021-04-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7C9K
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BU of 7c9k by Molmil
Crystal Structure of E84Q mutant of CntL in complex with SAM
Descriptor: CALCIUM ION, D-histidine 2-aminobutanoyltransferase, S-ADENOSYLMETHIONINE
Authors:Luo, Z, Zhou, H.
Deposit date:2020-06-06
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7C9M
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BU of 7c9m by Molmil
The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis
Descriptor: (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, 5'-DEOXY-5'-METHYLTHIOADENOSINE, D-histidine 2-aminobutanoyltransferase
Authors:Luo, Z, Zhou, H.
Deposit date:2020-06-06
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
Descriptor: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQH
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BU of 7dqh by Molmil
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021

221051

数据于2024-06-12公开中

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