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5V0Y
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BU of 5v0y by Molmil
Solution structure of arenicin-3.
Descriptor: arenicin-3
Authors:Edwards, I.A, Mobli, M.
Deposit date:2017-02-28
Release date:2018-08-08
Last modified:2020-06-10
Method:SOLUTION NMR
Cite:An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria
Nat Commun, 2020
7WFW
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BU of 7wfw by Molmil
Apo human Nav1.8
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-27
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WEL
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BU of 7wel by Molmil
Human Nav1.8 with A-803467, class II
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-23
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WE4
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BU of 7we4 by Molmil
Human Nav1.8 with A-803467, class I
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-22
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WFR
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BU of 7wfr by Molmil
Human Nav1.8 with A-803467, class III
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-27
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CMA
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BU of 7cma by Molmil
Structure of A151R from African swine fever virus Georgia
Descriptor: A151R, ZINC ION
Authors:Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R.
Deposit date:2020-07-26
Release date:2021-06-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure basis of non-structural protein pA151R from African Swine Fever Virus.
Biochem.Biophys.Res.Commun., 532, 2020
5WPI
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BU of 5wpi by Molmil
The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase
Descriptor: 1,2-ETHANEDIOL, HsvA
Authors:Shanker, S, Lawton, J.
Deposit date:2017-08-04
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase.
J. Biol. Chem., 292, 2017
3N2R
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BU of 3n2r by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2010-05-18
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 18, 2010
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, J, Yan, Z, Ke, M.
Deposit date:2020-07-24
Release date:2020-11-11
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020
5JC9
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BU of 5jc9 by Molmil
Structure of the Escherichia coli ribosome with the U1052G mutation in the 16S rRNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-14
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J7L
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BU of 5j7l by Molmil
Structure of the 70S E coli ribosome with the U1052G mutation in the 16S rRNA bound to tetracycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-06
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JG8
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BU of 5jg8 by Molmil
Crystal structure of human acid sphingomyelinase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, Z.J, Prive, G.G.
Deposit date:2016-04-19
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis.
J.Mol.Biol., 428, 2016
7RIT
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BU of 7rit by Molmil
Drug-free A. baumannii MsbA
Descriptor: ATP-dependent lipid A-core flippase
Authors:Thelot, F, Liao, M.
Deposit date:2021-07-20
Release date:2021-10-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7C23
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BU of 7c23 by Molmil
Crystal structure of CrmE10, a SGNH-hydrolase family esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C82
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BU of 7c82 by Molmil
Crystal structure of AlinE4, a SGNH-hydrolase family esterase
Descriptor: ACETATE ION, ALANINE, CADMIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-28
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C84
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BU of 7c84 by Molmil
Esterase AlinE4 mutant, D162A
Descriptor: ACETATE ION, CADMIUM ION, GLYCEROL, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-28
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C85
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BU of 7c85 by Molmil
Esterase AlinE4 mutant-S13A
Descriptor: ACETATE ION, CADMIUM ION, SGNH-hydrolase family esterase
Authors:Li, Z, Li, J.
Deposit date:2020-05-28
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C29
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BU of 7c29 by Molmil
Esterase CrmE10 mutant-D178A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Descriptor: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
Authors:Lahiri, S.
Deposit date:2013-08-21
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCC
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BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Descriptor: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Olivier, N.B, Hill, P.
Deposit date:2013-08-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCB
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BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Descriptor: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
Authors:Olivier, N.B, Hill, P.
Deposit date:2013-08-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
5I8E
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BU of 5i8e by Molmil
Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab
Descriptor: VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION
Authors:Xu, K, Zhou, T, Liu, K, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I8C
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BU of 5i8c by Molmil
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
Descriptor: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
Authors:Xu, K, Zhou, T, Liu, K, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I8H
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BU of 5i8h by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer in Complex with V3 Loop-targeting Antibody PGT122 Fab and Fusion Peptide-targeting Antibody VRC34.01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.664 gp120, ...
Authors:Xu, K, Zhou, T, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.301 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
8EPL
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BU of 8epl by Molmil
Human R-type voltage-gated calcium channel Cav2.3 at 3.1 Angstrom resolution
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2022-10-06
Release date:2022-12-14
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022

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