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PDB: 373 件
7TIW
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BU of 7tiw by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54
分子名称: (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE 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 (1.68 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
3EP2
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BU of 3ep2 by Molmil
Model of Phe-tRNA(Phe) in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-29
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
3QCY
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BU of 3qcy by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide
分子名称: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCQ
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD3
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BU of 3qd3 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate
分子名称: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD4
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BU of 3qd4 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate
分子名称: 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCS
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BU of 3qcs by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD0
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BU of 3qd0 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide
分子名称: (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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
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
1LCS
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BU of 1lcs by Molmil
RECEPTOR-BINDING DOMAIN FROM SUBGROUP B FELINE LEUKEMIA VIRUS
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barnett, A.L, Wensel, D.L, Li, W, Fass, D, Cunningham, J.M.
登録日2002-04-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Mechanism of a Coreceptor for Infection by a pathogenic feline retrovirus
J.Virol., 77, 2003
3SWH
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BU of 3swh by Molmil
Munc13-1, MUN domain, C-terminal module
分子名称: Protein unc-13 homolog A
著者Tomchick, D.R, Rizo, J, Li, W.
登録日2011-07-13
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Crystal Structure of a Munc13 C-terminal Module Exhibits a Remarkable Similarity to Vesicle Tethering Factors.
Structure, 19, 2011
3UA0
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BU of 3ua0 by Molmil
N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease
分子名称: Fibroin heavy chain
著者He, Y.-X, Zhang, N.-N, Chen, B.-Y, Li, W.-F, Chen, Y.-X, Zhou, C.-Z.
登録日2011-10-20
公開日2012-03-28
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease.
J.Mol.Biol., 418, 2012
1Z6T
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BU of 1z6t by Molmil
Structure of the apoptotic protease-activating factor 1 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Apoptotic protease activating factor 1
著者Riedl, S.J, Li, W, Chao, Y, Schwarzenbacher, R, Shi, Y.
登録日2005-03-23
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the apoptotic protease-activating factor 1 bound to ADP
Nature, 434, 2005
5SZS
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BU of 5szs by Molmil
Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy
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, Spike glycoprotein, ...
著者Walls, A.C, Tortorici, M.A, Frenz, B, Snijder, J, Li, W, Rey, F.A, DiMaio, F, Bosch, B.J, Veesler, D.
登録日2016-08-15
公開日2016-09-14
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy.
Nat.Struct.Mol.Biol., 23, 2016
4LAL
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BU of 4lal by Molmil
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
分子名称: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
著者Xu, S, Li, W, Zhu, J, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
5DJO
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BU of 5djo by Molmil
Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Ren, J.Q, Li, W, Huo, L, Feng, W.
登録日2015-09-02
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
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
3J45
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BU of 3j45 by Molmil
Structure of a non-translocating SecY protein channel with the 70S ribosome
分子名称: 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L24, ...
著者Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
登録日2013-06-18
公開日2013-10-23
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
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
3J46
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Structure of the SecY protein translocation channel in action
分子名称: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L23P, ...
著者Akey, C.W, Park, E, Menetret, J.F, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A.
登録日2013-06-18
公開日2013-10-23
最終更新日2019-07-03
実験手法ELECTRON MICROSCOPY (10.1 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
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
6BGN
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BU of 6bgn by Molmil
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
分子名称: 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ...
著者Zhang, Y, Li, W, Stack, T.
登録日2017-10-29
公開日2018-02-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
6LOI
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Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
分子名称: Isoprenyl transferase
著者Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
登録日2020-01-05
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020

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