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5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Li, X.
登録日2017-09-23
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
7CKK
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BU of 7ckk by Molmil
Structural complex of FTO bound with Dac51
分子名称: 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide, Alpha-ketoglutarate-dependent dioxygenase FTO, N-OXALYLGLYCINE
著者Yang, C, Gan, J.
登録日2020-07-17
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Tumors exploit FTO-mediated regulation of glycolytic metabolism to evade immune surveillance.
Cell Metab., 33, 2021
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
分子名称: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Tan, Y, Yang, G.
登録日2018-04-13
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
5ZZ3
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BU of 5zz3 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3
分子名称: Butyrophilin, subfamily 3, member A3 isoform b variant
著者Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-30
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6CWP
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BU of 6cwp by Molmil
X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) ribonucleotide reductase beta subunit (anaerobic)
分子名称: MANGANESE (II) ION, Ribonucleotide reductase, VAL-GLU-TYR-THR-LYS-HIS
著者Maggiolo, A.O, Rose, H.R, Boal, A.K.
登録日2018-03-30
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis for Superoxide Activation of Flavobacterium johnsoniae Class I Ribonucleotide Reductase and for Radical Initiation by Its Dimanganese Cofactor.
Biochemistry, 57, 2018
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6CWO
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BU of 6cwo by Molmil
X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) ribonucleotide reductase beta subunit (aerobic)
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Ribonucleotide reductase
著者Maggiolo, A.O, Rose, H.R, Boal, A.K.
登録日2018-03-30
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis for Superoxide Activation of Flavobacterium johnsoniae Class I Ribonucleotide Reductase and for Radical Initiation by Its Dimanganese Cofactor.
Biochemistry, 57, 2018
6BR8
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BU of 6br8 by Molmil
Structure of A6 reveals a novel lipid transporter
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, J, Peng, S, Pathak, P.
登録日2017-11-30
公開日2018-06-20
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2020-12-29
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
5YMV
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BU of 5ymv by Molmil
Crystal structure of 9-mer peptide from influenza virus in complex with BF2*1201
分子名称: ALA-VAL-LYS-GLY-VAL-GLY-THR-MET-VAL, Beta-2-microglobulin, Class I histocompatibility antigen, ...
著者Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F.
登録日2017-10-22
公開日2018-10-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
5YMW
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BU of 5ymw by Molmil
Crystal structure of 8-mer peptide from Rous sarcoma virus in complex with BF2*1201
分子名称: Beta-2-microglobulin, Class I histocompatibility antigen, F10 alpha chain, ...
著者Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F.
登録日2017-10-22
公開日2018-10-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
5YVP
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BU of 5yvp by Molmil
Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU
分子名称: CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-27
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5YVK
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BU of 5yvk by Molmil
Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903
分子名称: CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-26
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z53
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BU of 5z53 by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro
分子名称: 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-01-16
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z54
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BU of 5z54 by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro
分子名称: 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-01-17
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A98
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BU of 6a98 by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A8X
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BU of 6a8x by Molmil
Crystal structure of a apo form cyclase from Fischerella sp.
分子名称: CALCIUM ION, aromatic prenyltransferase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
分子名称: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-13
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A99
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BU of 6a99 by Molmil
Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-08-02
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
6V52
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BU of 6v52 by Molmil
IDO1 IN COMPLEX WITH COMPOUND 1
分子名称: 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Koenig, K.V, Augustin, M.A.
登録日2019-12-03
公開日2020-04-08
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
7C02
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BU of 7c02 by Molmil
Crystal structure of dimeric MERS-CoV receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Dai, L, Qi, J, Gao, G.F.
登録日2020-04-30
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
5YVL
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BU of 5yvl by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-26
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
6A92
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BU of 6a92 by Molmil
Crystal structure of a cyclase Filc1 from Fischerella sp.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018

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