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6AGK
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BU of 6agk by Molmil
The structure of CH-II-77-tubulin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W.
登録日2018-08-13
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
6O5M
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BU of 6o5m by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 10bb
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-03-04
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
6O5N
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BU of 6o5n by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 10ab
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-03-04
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
4EL1
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BU of 4el1 by Molmil
Crystal structure of oxidized hPDI (abb'xa')
分子名称: Protein disulfide-isomerase
著者Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C.
登録日2012-04-10
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
4EKZ
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BU of 4ekz by Molmil
Crystal structure of reduced hPDI (abb'xa')
分子名称: Protein disulfide-isomerase
著者Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C.
登録日2012-04-10
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
2OB7
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BU of 2ob7 by Molmil
Structure of tmRNA-(SmpB)2 complex as inferred from cryo-EM
分子名称: 16S ribosomal RNA, SsrA-binding protein, transfer-messenger RNA
著者Frank, J, Felden, B, Gillet, R, Li, W.
登録日2006-12-18
公開日2007-01-23
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (13.6 Å)
主引用文献Scaffolding as an organizing principle in trans-translation. The roles of small protein B and ribosomal protein S1.
J.Biol.Chem., 282, 2007
3JA8
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BU of 3ja8 by Molmil
Cryo-EM structure of the MCM2-7 double hexamer
分子名称: ADENOSINE-5'-DIPHOSPHATE, Minichromosome Maintenance 2, Minichromosome Maintenance 3, ...
著者Li, N, Zhai, Y, Zhang, Y, Li, W, Yang, M, Lei, J, Tye, B.K, Gao, N.
登録日2015-05-09
公開日2015-08-05
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the eukaryotic MCM complex at 3.8 angstrom
Nature, 524, 2015
3KBH
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BU of 3kbh by Molmil
Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
著者Wu, K, Li, W, Peng, G, Li, F.
登録日2009-10-20
公開日2009-12-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
8PE9
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BU of 8pe9 by Molmil
Complex between DDR1 DS-like domain and PRTH-101 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N.
登録日2023-06-13
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.152 Å)
主引用文献A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
4IAA
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BU of 4iaa by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N.
登録日2012-12-06
公開日2013-12-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
To be Published
6BR1
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BU of 6br1 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-11-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-11-30
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
分子名称: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
分子名称: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6KZI
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BU of 6kzi by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives
分子名称: 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N.
登録日2019-09-24
公開日2020-03-04
最終更新日2021-03-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
分子名称: Engineered antibody heavy chain, Engineered antibody light chain
著者Zhang, Y, Li, W, Marshall, N.
登録日2019-06-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
6Q04
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BU of 6q04 by Molmil
MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid
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, FOLIC ACID, ...
著者Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-01
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q06
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BU of 6q06 by Molmil
MERS-CoV S structure in complex with 2,3-sialyl-N-acetyl-lactosamine
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, FOLIC ACID, ...
著者Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-01
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q05
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BU of 6q05 by Molmil
MERS-CoV S structure in complex with sialyl-lewisX
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, FOLIC ACID, ...
著者Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-01
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q07
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BU of 6q07 by Molmil
MERS-CoV S structure in complex with 2,6-sialyl-N-acetyl-lactosamine
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, FOLIC ACID, ...
著者Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-01
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6O7K
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BU of 6o7k by Molmil
30S initiation complex
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Frank, J, Gonzalez Jr, R.L, kaledhonkar, S, Fu, Z, Caban, K, Li, W, Chen, B, Sun, M.
登録日2019-03-08
公開日2019-05-29
最終更新日2020-01-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Late steps in bacterial translation initiation visualized using time-resolved cryo-EM.
Nature, 570, 2019
3JBO
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BU of 3jbo by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P/E-tRNA
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
著者Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
登録日2015-09-16
公開日2015-10-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
3JBP
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BU of 3jbp by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to E-tRNA
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
著者Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
登録日2015-09-16
公開日2015-10-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
3JBN
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BU of 3jbn by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P-tRNA
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
著者Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
登録日2015-09-16
公開日2015-10-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
7TIU
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BU of 7tiu by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46
分子名称: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022

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