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2I6K
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BU of 2i6k by Molmil
Crystal structure of human type I IPP isomerase complexed with a substrate analog
Descriptor: ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ...
Authors:Zhang, C, Wei, Z, Gong, W.
Deposit date:2006-08-29
Release date:2007-06-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
Descriptor: Histone acetyltransferase KAT6A, ZINC ION
Authors:Qiu, Y.
Deposit date:2011-12-15
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
4OP3
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BU of 4op3 by Molmil
Human GKRP bound to AMG-5112 and Sorbitol-6-phosphate
Descriptor: (2S)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-02-04
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
4OHP
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BU of 4ohp by Molmil
Human GKRP bound to AMG-3227 and S6P
Descriptor: 4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
4OP1
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BU of 4op1 by Molmil
GKRP bound to AMG0556 and Sorbitol-6-Phosphate
Descriptor: (2S)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-02-04
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
Descriptor: L-mr12
Authors:Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
Deposit date:2007-05-31
Release date:2008-04-15
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
4OHK
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BU of 4ohk by Molmil
Human GKRP bound to AMG-2526 and S6P
Descriptor: (2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
4OHM
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BU of 4ohm by Molmil
Human GKRP bound to AMG-0771 and sorbitol-6-phosphate
Descriptor: (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
6LYW
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BU of 6lyw by Molmil
Structural insight into the biological functions of Arabidopsis thaliana ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6LYX
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BU of 6lyx by Molmil
Crystal structure of oxidized ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6MJH
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BU of 6mjh by Molmil
The S31N mutant of the influenza A M2 proton channel in two distinct conformational states
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-09-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
J.Am.Chem.Soc., 141, 2019
6N5A
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BU of 6n5a by Molmil
Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2018-11-21
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Le Nours, J, Rossjohn, J.
Deposit date:2018-10-30
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
Descriptor: PL5, designed TM pentamer
Authors:Mravic, M, Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-10-10
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
7BSC
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BU of 7bsc by Molmil
Complex structure of 1G5.3 Fab bound to DENV2 NS1c
Descriptor: 1G5.3 Fab Heavy Chain, 1G5.3 Fab Light Chain, Non-structural protein 1
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2020-03-30
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A broadly protective antibody that targets the flavivirus NS1 protein.
Science, 371, 2021
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Wang, X, Ge, J.
Deposit date:2020-04-14
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
7WYG
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BU of 7wyg by Molmil
Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid.
Descriptor: Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Li, F, He, C, Wang, X.
Deposit date:2022-02-16
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Angew.Chem.Int.Ed.Engl., 61, 2022
7XPR
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BU of 7xpr by Molmil
Crystal structrue of SeMet-MtdL:GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPV
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BU of 7xpv by Molmil
crysteal structure of MtdL-S228A-His soaked with GDP-Fucf and Mn
Descriptor: MANGANESE (II) ION, Transglycosylse, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPT
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BU of 7xpt by Molmil
Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc
Descriptor: GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPS
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BU of 7xps by Molmil
Crystal structrue of MtdL:GDP:Mn
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPU
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BU of 7xpu by Molmil
crystal structure of MtdL-S228A-His soaked GDP-Fucp and Mn
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, MANGANESE (II) ION, ...
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7BSD
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BU of 7bsd by Molmil
Complex structure of 1G5.3 Fab bound to ZIKV NS1c
Descriptor: 1G5.3 Fab Heavy Chain, 1G5.3 Fab Light Chain, NS1C
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2020-03-30
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:A broadly protective antibody that targets the flavivirus NS1 protein.
Science, 371, 2021
5HDM
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BU of 5hdm by Molmil
Crystal structure of Arabidopsis thaliana glutamate-1-semialdehyde-2,1-aminomutase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase 1, chloroplastic, ...
Authors:Song, Y, Pu, H, Liu, L.
Deposit date:2016-01-05
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of glutamate-1-semialdehyde-2,1-aminomutase from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 72, 2016
9AT6
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BU of 9at6 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024

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