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7FGW
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BU of 7fgw by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
6KJW
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BU of 6kjw by Molmil
Galectin-13 variant C136S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
6KJX
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BU of 6kjx by Molmil
Galectin-13 variant C138S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
6INH
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BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
Descriptor: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
Authors:Zhu, X.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6ING
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BU of 6ing by Molmil
A complex structure of H25A mutant of glycosyltransferase with UDP
Descriptor: GLYCEROL, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6KJY
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BU of 6kjy by Molmil
Galectin-13 variant C136S/C138S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
7FIC
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BU of 7fic by Molmil
Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo
Descriptor: 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A, CHLORIDE ION
Authors:Craven, G.B, Wan, X.B, Taunton, J.
Deposit date:2021-07-31
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Reversible lysine-targeted probes reveal residence time-based kinase selectivity.
Nat.Chem.Biol., 18, 2022
6KIH
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BU of 6kih by Molmil
Sucrose-phosphate synthase (tll1590) from Thermosynechococcus elongatus
Descriptor: 6-O-phosphono-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Tll1590 protein, URIDINE-5'-DIPHOSPHATE
Authors:Su, J.
Deposit date:2019-07-18
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
6L40
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BU of 6l40 by Molmil
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
Descriptor: ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
Authors:Luo, Y.F, Bao, R, Ju, Y, He, L.H.
Deposit date:2019-10-15
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
6LDQ
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BU of 6ldq by Molmil
Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
Descriptor: THIOCYANATE ION, Tll1590 protein
Authors:Su, J.
Deposit date:2019-11-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
8K10
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BU of 8k10 by Molmil
SID1 transmembrane family member 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
8K11
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BU of 8k11 by Molmil
SID1 transmembrane family member 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
8K12
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BU of 8k12 by Molmil
SID1 transmembrane family member 2
Descriptor: SID1 transmembrane family member 2
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
8K1B
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BU of 8k1b by Molmil
SID1 transmembrane family member 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 1
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
8K13
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BU of 8k13 by Molmil
SID1 transmembrane family member 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 1
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
8K1D
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BU of 8k1d by Molmil
SID1 transmembrane family member 1
Descriptor: SID1 transmembrane family member 1
Authors:Guo, H, Qi, C, Lu, Y, Yang, H, Zhu, Y, Sun, F, Ji, X.
Deposit date:2023-07-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structures of human SID-1 transmembrane family proteins and implications for their low-pH-dependent RNA transport activity.
Cell Res., 34, 2024
6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
6U06
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BU of 6u06 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
Descriptor: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Wang, Y, Ma, Y.
Deposit date:2015-01-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
2QT0
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BU of 2qt0 by Molmil
Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue
Descriptor: MAGNESIUM ION, Nicotinamide riboside, Nicotinamide riboside kinase 1, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-07-31
Release date:2007-08-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
7XPN
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BU of 7xpn by Molmil
Structure of the Spring Viraemia of Carp Virus Nucleoprotein
Descriptor: Nucleoprotein
Authors:Wang, Z.X, Liu, B, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Structure of the Spring Viraemia of Carp Virus Ribonucleoprotein Complex Reveals Its Assembly Mechanism and Application in Antiviral Drug Screening.
J.Virol., 97, 2023
7D3D
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BU of 7d3d by Molmil
Crystal structure of SPOP bound with a peptide
Descriptor: GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2020-09-18
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
8D1G
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BU of 8d1g by Molmil
hBest2 Ca2+-bound open state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.07 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1O
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BU of 8d1o by Molmil
hBest1_345 Ca2+-bound open state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022

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