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8FML
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BU of 8fml by Molmil
Cryo-EM structure of NLR family apoptosis inhibitory protein 5 (NAIP5) in complex with a full-length flagellin (FliC) ligand
分子名称: Baculoviral IAP repeat-containing protein 1e, Flagellin
著者Paidimuddala, B, Zhang, L.
登録日2022-12-23
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural basis for flagellin-induced NAIP5 activation.
Sci Adv, 9, 2023
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
8GX9
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BU of 8gx9 by Molmil
Crystal structure of SARS-CoV-2 RBD with P2C-1F11 and P2B-1G5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of P2B-1G5, ...
著者Wang, X, Zhang, L, Ge, J.
登録日2022-09-19
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献Crystal structure of SARS-CoV-2 antibody P2C-1F11 and RBD
To be published
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
分子名称: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Fu, L, Peng, H, Zhang, L, Ouyang, L.
登録日2015-12-30
公開日2016-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
8C1V
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BU of 8c1v by Molmil
SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map
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, Sb92, ...
著者Huiskonen, J.T, Rissanen, I, Hannula, L.
登録日2022-12-21
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
8W72
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BU of 8w72 by Molmil
Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fang, C, Zhang, L, Zhu, Y, Zhang, C.
登録日2023-08-30
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
8W6Z
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BU of 8w6z by Molmil
Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
分子名称: (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fang, C, Zhang, L, Zhu, Y, Zhang, C.
登録日2023-08-30
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
5XPV
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BU of 5xpv by Molmil
Structure of the V domain of amphioxus IgVJ-C2
分子名称: amphioxus IgVJ-C2
著者Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
登録日2017-06-05
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
5XPW
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BU of 5xpw by Molmil
Structure of amphioxus IgVJ-C2 molecule
分子名称: amphioxus IgVJ-C2
著者Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
登録日2017-06-05
公開日2018-04-18
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
4GWG
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BU of 4gwg by Molmil
Crystal Structure Analysis of 6-phosphogluconate dehydrogenase apo-form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
著者He, C, Zhou, L, Zhang, L.
登録日2012-09-03
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3907 Å)
主引用文献Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4GPZ
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BU of 4gpz by Molmil
Crystal structure of human B type phosphoglycerate mutase H11 phosphorylated form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1
著者He, C, Zhou, L, Zhang, L.
登録日2012-08-22
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
4GWK
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BU of 4gwk by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ...
著者He, C, Zhou, L, Zhang, L.
登録日2012-09-03
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
3WQK
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BU of 3wqk by Molmil
Crystal structure of Rv3378c with PO4
分子名称: Diterpene synthase, PHOSPHATE ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2014-01-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
5DP4
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BU of 5dp4 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 3
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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Crystal Structure of EV71 3C Proteinase in complex with compound 9
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP8
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BU of 5dp8 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 8
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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BU of 5dpa by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 6
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP6
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BU of 5dp6 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 7
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5X0S
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BU of 5x0s by Molmil
Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans
分子名称: SsTx
著者Wu, F, Luo, L, Qu, D, Zhang, L, Tian, C, Lai, R.
登録日2017-01-23
公開日2018-01-24
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Centipedes subdue giant prey by blocking KCNQ channels
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
7VPN
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BU of 7vpn by Molmil
Crystal Structure of the dioxygenase CcTet from Coprinopsis cinereain in complex with Mn(II) and N-Oxalylglycine
分子名称: CcTet molecule, MANGANESE (II) ION, N-OXALYLGLYCINE
著者Mu, Y.J, Zhang, L, Zhang, L.
登録日2021-10-17
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A fungal dioxygenase CcTet serves as a eukaryotic 6mA demethylase on duplex DNA.
Nat.Chem.Biol., 18, 2022
5DP5
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Crystal Structure of EV71 3C Proteinase in complex with compound 4
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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Crystal Structure of EV71 3C Proteinase in complex with compound 5
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP3
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Crystal Structure of EV71 3C Proteinase in complex with compound 2
分子名称: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016

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