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3M09
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BU of 3m09 by Molmil
F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1
Descriptor: 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2010-03-02
Release date:2010-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
6PRB
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S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine inhibitor and NADP(H)
Descriptor: (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, ...
Authors:Bourne, C.R, Thomas, L.M.
Deposit date:2019-07-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
4WEJ
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Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
Descriptor: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4X6F
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CD1a binary complex with sphingomyelin
Descriptor: (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-02-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
1PPI
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BU of 1ppi by Molmil
THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. THE STRUCTURE OF THE COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE INHIBITOR REFINED TO 2.2 ANGSTROMS RESOLUTION
Descriptor: 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ...
Authors:Qian, M, Haser, R, Payan, F.
Deposit date:1994-02-22
Release date:1995-05-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active center of a mammalian alpha-amylase. Structure of the complex of a pancreatic alpha-amylase with a carbohydrate inhibitor refined to 2.2-A resolution.
Biochemistry, 33, 1994
8G1A
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Cryo-EM structure of Nav1.7 with CBD
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-02-01
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cannabidiol inhibits Na v channels through two distinct binding sites.
Nat Commun, 14, 2023
4K8H
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OYE1-W116V complexed with (R)-carvone
Descriptor: (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Sullivan, B, Pompeu, Y.A, Stewart, J.D.
Deposit date:2013-04-18
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
4K7V
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BU of 4k7v by Molmil
OYE1-W116A complexed with (R)-carvone
Descriptor: (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Sullivan, B, Pompeu, Y.A, Stewart, J.D.
Deposit date:2013-04-17
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
6INI
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a glycosyltransferase complex with UDP and the product
Descriptor: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhu, X, Yang, T, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
5VGS
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BU of 5vgs by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol
Descriptor: (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase
Authors:Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2017-04-11
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
5J6F
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BU of 5j6f by Molmil
Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate
Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ...
Authors:Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J.
Deposit date:2016-04-04
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate.
J. Biol. Chem., 291, 2016
5J9Z
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BU of 5j9z by Molmil
EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a
Descriptor: (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
Authors:Becker, C, Engel, J, Rauh, D.
Deposit date:2016-04-11
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5J14
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BU of 5j14 by Molmil
Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM3
Descriptor: N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Putative secreted endoglycosylceramidase, ...
Authors:Chen, L.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.915 Å)
Cite:Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases
J. Biol. Chem., 292, 2017
5J7Z
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Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM1
Descriptor: N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, Putative secreted endoglycosylceramidase, SODIUM ION, ...
Authors:Chen, L.
Deposit date:2016-04-07
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases.
J. Biol. Chem., 292, 2017
5JO2
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BU of 5jo2 by Molmil
Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION, ...
Authors:Weng, J.K, Noel, J.P.
Deposit date:2016-05-01
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016
5J9Y
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BU of 5j9y by Molmil
EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b
Descriptor: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
Authors:Becker, C, Engel, J, Rauh, D.
Deposit date:2016-04-11
Release date:2016-08-17
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
8IWH
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BU of 8iwh by Molmil
Structure and characteristics of a photosystem II supercomplex containing monomeric LHCX and dimeric FCPII antennae from the diatom Thalassiosira pseudonana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Feng, Y, Li, Z.H, Wang, W.D, Shen, J.R.
Deposit date:2023-03-30
Release date:2023-10-25
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
8IJL
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Cyo-EM structure of wildtype non-gastric proton pump in the presence of Na+, AlF and ADP
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Abe, K.
Deposit date:2023-02-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:An unusual conformation from Na + -sensitive non-gastric proton pump mutants reveals molecular mechanisms of cooperative Na + -binding.
Biochim Biophys Acta Mol Cell Res, 1870, 2023
7LNX
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BU of 7lnx by Molmil
I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate, (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
8J4F
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Structure of human Nav1.7 in complex with Hardwickii acid
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-04-19
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
7MBR
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BU of 7mbr by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (apo state)
Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruan, Z, Lu, W, Du, J, Haley, E.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY
Cite:Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBS
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BU of 7mbs by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state)
Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruan, Z, Lu, W, Du, J, Haley, E.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY
Cite:Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBT
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BU of 7mbt by Molmil
Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (low calcium occupancy in the transmembrane domain)
Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruan, Z, Lu, W, Du, J, Haley, E.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY
Cite:Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBQ
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BU of 7mbq by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium
Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruan, Z, Lu, W, Du, J, Haley, E.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBU
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BU of 7mbu by Molmil
Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (high calcium occupancy in the transmembrane domain)
Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruan, Z, Lu, W, Du, J, Haley, E.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY
Cite:Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021

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