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5WLK
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BU of 5wlk by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
Descriptor: Helical Bundle 4EH2, ZINC ION
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WZE
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BU of 5wze by Molmil
The structure of Pseudomonas aeruginosa aminopeptidase PepP
Descriptor: 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ...
Authors:Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J.
Deposit date:2017-01-17
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
5YKJ
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BU of 5ykj by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
Descriptor: GLYCEROL, Peroxiredoxin PRX1, mitochondrial, ...
Authors:Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
Deposit date:2017-10-14
Release date:2018-10-24
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
To be published
8J60
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BU of 8j60 by Molmil
Structural and mechanistic insight into ribosomal ITS2 RNA processing by nuclease-kinase machinery
Descriptor: LAS1 protein, Polynucleotide 5'-hydroxyl-kinase GRC3
Authors:Chen, J, Chen, H, Li, S, Lin, X, Hu, R, Zhang, K, Liu, L.
Deposit date:2023-04-24
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural and mechanistic insights into ribosomal ITS2 RNA processing by nuclease-kinase machinery.
Elife, 12, 2024
8J5Y
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BU of 8j5y by Molmil
Structural and mechanistic insight into ribosomal ITS2 RNA processing by nuclease-kinase machinery
Descriptor: LAS1 isoform 1, Polynucleotide 5'-hydroxyl-kinase GRC3
Authors:Chen, J, Chen, H, Li, S, Lin, X, Hu, R, Zhang, K, Liu, L.
Deposit date:2023-04-24
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural and mechanistic insights into ribosomal ITS2 RNA processing by nuclease-kinase machinery.
Elife, 12, 2024
4MQU
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BU of 4mqu by Molmil
Human GKRP complexed to AMG-3969 and S6P
Descriptor: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
8IRK
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BU of 8irk by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-18
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of Mycobacterial ergothioneine-biosynthesis C-S lyase EgtE
To Be Published
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
Descriptor: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
Deposit date:2013-09-17
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
4N7R
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BU of 4n7r by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein
Descriptor: Genomic DNA, chromosome 3, P1 clone: MXL8, ...
Authors:Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L.
Deposit date:2013-10-16
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
4QDJ
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BU of 4qdj by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAM
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
8AZT
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BU of 8azt by Molmil
Type II amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2022-11-02
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
4QDK
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BU of 4qdk by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
4QS7
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BU of 4qs7 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in glucose-bound form
Descriptor: Hexokinase-1, beta-D-glucopyranose
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QS9
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BU of 4qs9 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) mutant S177A structure in glucose-bound form
Descriptor: Hexokinase-1, beta-D-glucopyranose
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
Descriptor: Hexokinase-1
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
7EZG
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BU of 7ezg by Molmil
The structure of the human METTL6 enzyme in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Xie, W, Chen, R, Zhou, J, Liu, L.
Deposit date:2021-06-01
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human METTL6, the m 3 C methyltransferase.
Commun Biol, 4, 2021
7EQH
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BU of 7eqh by Molmil
Crystal structure of Arabidopsis GUN2/HO1 in complex with heme
Descriptor: Heme oxygenase 1, chloroplastic, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, X, Wang, J, Liu, L.
Deposit date:2021-05-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymological and structural characterization of Arabidopsis thaliana heme oxygenase-1.
Febs Open Bio, 12, 2022
7F4R
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BU of 7f4r by Molmil
Crystal structure of MTA1
Descriptor: MT-a70 family protein
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
Descriptor: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
Authors:Schmidt, N, Liu, L, DeGrado, W.F.
Deposit date:2020-07-20
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
Descriptor: MANGANESE (II) ION, PppA
Authors:Wang, T, Liu, L, Wu, Y, Li, D.
Deposit date:2019-03-02
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2020-08-28
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7KEO
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BU of 7keo by Molmil
Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment
Descriptor: PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ...
Authors:Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M.
Deposit date:2020-10-11
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle.
Nat.Chem.Biol., 17, 2021
7LN4
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BU of 7ln4 by Molmil
Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2021-02-06
Release date:2021-09-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
7LN5
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BU of 7ln5 by Molmil
Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 1, Close State)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2021-02-06
Release date:2021-09-15
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
7LMY
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BU of 7lmy by Molmil
Cryo-EM structure of human p97 in complex with NMS-873 in the presence of ATP, Npl4/Ufd1, and Ub6
Descriptor: 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2021-02-06
Release date:2021-09-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021

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