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5ZVB
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BU of 5zvb by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9)
分子名称: APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
5ZZ2
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BU of 5zz2 by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1634
分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
登録日2018-05-29
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
6U75
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BU of 6u75 by Molmil
Crystal Structure of S. Cerevisiae SUMO E3 Ligase SIZ2
分子名称: E3 SUMO-protein ligase SIZ2, ZINC ION
著者Lima, C.D, Cappadocia, L.
登録日2019-08-31
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献DNA asymmetry promotes SUMO modification of the single-stranded DNA-binding protein RPA.
Embo J., 40, 2021
5ZVA
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BU of 5zva by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9)
分子名称: APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
4EZK
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BU of 4ezk by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
分子名称: 2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M.
登録日2012-05-02
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
4EZL
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BU of 4ezl by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
分子名称: 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M.
登録日2012-05-02
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
6ACB
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BU of 6acb by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1805
分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
登録日2018-07-26
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
7DAE
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BU of 7dae by Molmil
EPB in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7DAF
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BU of 7daf by Molmil
IXA in complex with tubulin
分子名称: (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7DAD
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BU of 7dad by Molmil
EPD in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wang, Y, Wu, C.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
1Q1M
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BU of 1q1m by Molmil
A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
分子名称: 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
登録日2003-07-22
公開日2003-09-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
4EZJ
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BU of 4ezj by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
分子名称: 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M.
登録日2012-05-02
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
7CRZ
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BU of 7crz by Molmil
Crystal structure of human glucose transporter GLUT3 bound with C3361
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ...
著者Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N.
登録日2020-08-14
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
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, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
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, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7CMZ
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BU of 7cmz by Molmil
Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8
分子名称: DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ...
著者Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N.
登録日2020-07-29
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
5L6Y
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BU of 5l6y by Molmil
il13 in complex with tralokinumab
分子名称: FORMIC ACID, Interleukin-13, tralokinumab FAb digest VH, ...
著者Breed, J.
登録日2016-06-01
公開日2016-12-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Characterisation Reveals Mechanism of IL-13-Neutralising Monoclonal Antibody Tralokinumab as Inhibition of Binding to IL-13R alpha 1 and IL-13R alpha 2.
J. Mol. Biol., 429, 2017
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
分子名称: CITRATE ANION, Terminal nucleotidyltransferase 5B
著者Zhang, H, Hu, J.L, Gao, S.
登録日2019-04-26
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.693199 Å)
主引用文献FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
1OP0
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BU of 1op0 by Molmil
Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase
著者Zhu, Z, Teng, M, Niu, L.
登録日2003-03-04
公開日2004-05-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
6KMS
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BU of 6kms by Molmil
Crystal structure of human N6amt1-Trm112 in complex with SAM (space group I422)
分子名称: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYLMETHIONINE
著者Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P.
登録日2019-08-01
公開日2019-09-18
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
7DFT
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BU of 7dft by Molmil
Crystal structure of Xanthomonas oryzae ClpP
分子名称: ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION
著者Yang, C.-G, Yang, T.
登録日2020-11-09
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dysregulation of ClpP by Small-Molecule Activators Used Against Xanthomonas oryzae pv. oryzae Infections.
J.Agric.Food Chem., 69, 2021
7DFU
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BU of 7dfu by Molmil
Crystal structure of Xanthomonas oryzae ClpP S68Y in complex with ADEP4.
分子名称: ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION, MAGNESIUM ION, ...
著者Yang, C.-G, Yang, T.
登録日2020-11-09
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Dysregulation of ClpP by Small-Molecule Activators Used Against Xanthomonas oryzae pv. oryzae Infections.
J.Agric.Food Chem., 69, 2021

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