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6LT0
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BU of 6lt0 by Molmil
cryo-EM structure of C9ORF72-SMCR8-WDR41
Descriptor: Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41
Authors:Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S.
Deposit date:2020-01-21
Release date:2020-04-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
Descriptor: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
Authors:Till, J.H, Stout, T.J.
Deposit date:2012-05-31
Release date:2012-08-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
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 (1.69 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6INI
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BU of 6ini by Molmil
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
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
7DZ9
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BU of 7dz9 by Molmil
MbnABC complex
Descriptor: FE (III) ION, MbnA, MbnB, ...
Authors:Chao, D, Dan, Z, Yijun, G, Wei, C.
Deposit date:2021-01-25
Release date:2022-03-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
7ES2
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BU of 7es2 by Molmil
a mutant of glycosyktransferase in complex with UDP and Reb D
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, rebaudioside D
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERX
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BU of 7erx by Molmil
Glycosyltransferase in complex with UDP and STB
Descriptor: GLYCEROL, Glycosyltransferase, Steviolbioside, ...
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES1
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BU of 7es1 by Molmil
glycosyltransferase in complex with UDP and ST
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, steviol-19-o-glucoside
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERY
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BU of 7ery by Molmil
apo form of the glycosyltransferase
Descriptor: Glycosyltransferase
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES0
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BU of 7es0 by Molmil
a rice glycosyltransferase in complex with UDP and REX
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
Authors:Zhu, X.
Deposit date:2021-05-08
Release date:2021-12-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7FC0
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BU of 7fc0 by Molmil
Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
Deposit date:2021-07-13
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
4LMA
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BU of 4lma by Molmil
Crystal structure analysis of O-acetylserine sulfhydrylase CysK1 from Microcystis aeruginosa 7806
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Lu, M.
Deposit date:2013-07-10
Release date:2014-06-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical analyses of Microcystis aeruginosa O-acetylserine sulfhydrylases reveal a negative feedback regulation of cysteine biosynthesis.
Biochim.Biophys.Acta, 1844, 2014
4LMB
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BU of 4lmb by Molmil
Crystal structure analysis of O-acetylserine sulfhydrylase CysK2 complexed with cystine from Microcystis aeruginosa 7806
Descriptor: CYSTEINE, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Lu, M.
Deposit date:2013-07-10
Release date:2014-06-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural and biochemical analyses of Microcystis aeruginosa O-acetylserine sulfhydrylases reveal a negative feedback regulation of cysteine biosynthesis.
Biochim.Biophys.Acta, 1844, 2014
7EGV
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BU of 7egv by Molmil
Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid
Descriptor: (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J.
Deposit date:2021-03-26
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EHE
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BU of 7ehe by Molmil
Acetolactate Synthase from Trichoderma harzianum
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zang, X, Tang, Y, Zhou, J.
Deposit date:2021-03-29
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
3LFM
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BU of 3lfm by Molmil
Crystal structure of the fat mass and obesity associated (FTO) protein reveals basis for its substrate specificity
Descriptor: 3-methylthymidine, FE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chai, J, Han, Z.
Deposit date:2010-01-18
Release date:2010-04-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the FTO protein reveals basis for its substrate specificity
Nature, 464, 2010
6IZK
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BU of 6izk by Molmil
Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus
Descriptor: CHLORIDE ION, IMIDAZOLE, L(+)-TARTARIC ACID, ...
Authors:Sangare, L, Chen, W, Wang, C, Chen, X, Wu, M, Zhang, X, Zang, J.
Deposit date:2018-12-19
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural characterization of mutated NreA protein in nitrate binding site from Staphylococcus aureus
To Be Published
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
4OI6
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BU of 4oi6 by Molmil
Crystal structure analysis of nickel-bound form SCO4226 from Streptomyces coelicolor A3(2)
Descriptor: CITRIC ACID, NICKEL (II) ION, Nickel responsive protein
Authors:Lu, M, Jiang, Y.L, Wang, S, Cheng, W, Zhang, R.G, Virolle, M.J, Chen, Y, Zhou, C.Z.
Deposit date:2014-01-18
Release date:2014-09-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Streptomyces coelicolor SCO4226 Is a Nickel Binding Protein.
Plos One, 9, 2014
3RN4
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BU of 3rn4 by Molmil
Crystal structure of iron-substituted Sod2 from Saccharomyces cerevisiae
Descriptor: FE (III) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Kang, Y, He, Y.-X, Cheng, W, Zhou, C.-Z, Li, W.-F.
Deposit date:2011-04-21
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structures of native and Fe-substituted SOD2 from Saccharomyces cerevisiae
Acta Crystallogr.,Sect.F, 67, 2011
4OI3
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BU of 4oi3 by Molmil
Crystal structure analysis of SCO4226 from Streptomyces coelicolor A3(2)
Descriptor: Nickel responsive protein
Authors:Lu, M, Jiang, Y.L, Wang, S, Cheng, W, Zhang, R.G, Virolle, M.J, Chen, Y, Zhou, C.Z.
Deposit date:2014-01-18
Release date:2014-09-17
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Streptomyces coelicolor SCO4226 Is a Nickel Binding Protein.
Plos One, 9, 2014
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
Descriptor: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-30
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019

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