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5ZGQ
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BU of 5zgq by Molmil
Crystal structure of NDM-1 at pH7.5 (Tris-HCl, (NH4)2SO4) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGZ
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BU of 5zgz by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGP
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BU of 5zgp by Molmil
Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGF
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BU of 5zgf by Molmil
Crystal structure of NDM-1 Q123G mutant
Descriptor: HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGI
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BU of 5zgi by Molmil
Crystal structure of NDM-1 at pH6.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
8ZWZ
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BU of 8zwz by Molmil
terpene synthases with from Paramuricea clavata
Descriptor: Diterpene synthase
Authors:Mao, J.J, Chen, B.
Deposit date:2024-06-13
Release date:2025-03-12
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Mining coral-derived terpene synthases and mechanistic studies of the coral biflorane synthase.
Sci Adv, 11, 2025
6AAX
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BU of 6aax by Molmil
Crystal structure of TFB1M and h45 with SAM in homo sapiens
Descriptor: DI(HYDROXYETHYL)ETHER, Dimethyladenosine transferase 1, mitochondrial, ...
Authors:Liu, X, Shen, S, Wu, P, Li, F, Gong, Q, Wu, J, Zhang, H, Shi, Y.
Deposit date:2018-07-19
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
5ZGT
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BU of 5zgt by Molmil
Crystal structure of NDM-1 at pH7.5 (HEPES) with 2 molecules per asymmetric unit
Descriptor: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
5NDF
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BU of 5ndf by Molmil
Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ...
Authors:Hurtado-Guerrero, R, De las Rivas, M.
Deposit date:2017-03-08
Release date:2017-11-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein.
J. Biol. Chem., 292, 2017
2MT8
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BU of 2mt8 by Molmil
Solution structure MTAbl13, a grafted MCoTI-II
Descriptor: MTAbl13 of grafted MCoTI-II
Authors:Huang, Y, Wang, C, Craik, D.
Deposit date:2014-08-15
Release date:2015-10-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Design of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold.
Sci Rep, 5, 2015
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
Descriptor: Conotoxin im17a
Authors:Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
7Y82
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BU of 7y82 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA complex bound to self RNA target
Descriptor: MAGNESIUM ION, RAMP superfamily protein, Self RNA target, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
7Y83
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BU of 7y83 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA in complex with TPR-CHAT protease bound to non-self RNA target
Descriptor: CHAT domain protein, MAGNESIUM ION, RAMP superfamily protein, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
7Y81
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BU of 7y81 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA complex bound to non-self RNA target
Descriptor: MAGNESIUM ION, Non-self RNA target, RAMP superfamily protein, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
7Y85
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BU of 7y85 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA in complex with TPR-CHAT protease bound to self RNA target
Descriptor: CHAT domain protein, MAGNESIUM ION, RAMP superfamily protein, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
7Y80
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BU of 7y80 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA binary complex
Descriptor: MAGNESIUM ION, RAMP superfamily protein, ZINC ION, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
7Y84
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BU of 7y84 by Molmil
CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA in complex with TPR-CHAT protease
Descriptor: CHAT domain protein, MAGNESIUM ION, RAMP superfamily protein, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-06-22
Release date:2022-12-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022
3DHC
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BU of 3dhc by Molmil
1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center
Descriptor: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ...
Authors:Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2008-06-17
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
3DHA
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BU of 3dha by Molmil
An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site
Descriptor: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ...
Authors:Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2008-06-17
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
7YHO
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BU of 7yho by Molmil
CryoEM structure of Arabidopsis ROS1 in complex with TG mismatch dsDNA at 3.3 Angstroms resolution
Descriptor: DNA (40-MER), IRON/SULFUR CLUSTER, Sex-determining region Y protein,DNA glycosylase/AP lyase ROS1
Authors:Du, X, Du, J.
Deposit date:2022-07-14
Release date:2022-11-30
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of the plant ROS1-mediated active DNA demethylation.
Nat.Plants, 9, 2023

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