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8B6X
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NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC micelles
分子名称: Envelope glycoprotein gp160
著者Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
登録日2022-09-27
公開日2022-11-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022
6HAT
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BU of 6hat by Molmil
Globular domain of herpesvirus saimiri ORF57
分子名称: ACETATE ION, ZINC ION, mRNA export factor ICP27 homolog
著者Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2018-08-08
公開日2018-11-21
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-24
公開日2023-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
4RC6
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Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant
分子名称: Aldehyde decarbonylase, FE (II) ION
著者Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R.
登録日2014-09-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RTH
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BU of 4rth by Molmil
The crystal structure of PsbP from Zea mays
分子名称: Membrane-extrinsic protein of photosystem II PsbP
著者Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W.
登録日2014-11-15
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
4RTI
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The crystal structure of PsbP from Spinacia oleracea
分子名称: CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ...
著者Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W.
登録日2014-11-15
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
6LXT
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BU of 6lxt by Molmil
Structure of post fusion core of 2019-nCoV S2 subunit
分子名称: Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION
著者Zhu, Y, Sun, F.
登録日2020-02-11
公開日2020-02-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
3RAE
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BU of 3rae by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
分子名称: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ...
著者Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2011-03-28
公開日2012-04-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr.,Sect.D, 72, 2016
3RAD
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BU of 3rad by Molmil
Quinolone(Clinafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
分子名称: 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3', ...
著者Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2011-03-28
公開日2012-04-25
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
6OAF
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Sudan virus nucleoprotein core domain in complex with VP35 chaperoning peptide
分子名称: Polymerase cofactor VP35,Nucleoprotein
著者Landeras-Bueno, S, Oda, S, Norris, M.J, Li Salie, Z, Ollmann Saphire, E.
登録日2019-03-15
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sudan Ebolavirus VP35-NP Crystal Structure Reveals a Potential Target for Pan-Filovirus Treatment.
Mbio, 10, 2019
6HE7
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BU of 6he7 by Molmil
20S proteasome from Archaeoglobus fulgidus
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5KVT
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BU of 5kvt by Molmil
THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB
分子名称: Entrectinib, GLYCEROL, High affinity nerve growth factor receptor
著者Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M.
登録日2016-07-15
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials
To Be Published
7MYJ
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BU of 7myj by Molmil
Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011
分子名称: (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G.
登録日2021-05-21
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
8U37
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Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution
分子名称: (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type
著者Romanowski, M.J, Lam, J, Visser, M.
登録日2023-09-07
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
8UAK
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Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution
分子名称: (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type
著者Romanowski, M.J, Lam, J, Visser, M.
登録日2023-09-21
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
8A4R
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BU of 8a4r by Molmil
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic orthorhombic data at 3.59 A
分子名称: PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR)
著者Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
8A3F
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Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A
分子名称: PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR)
著者Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2022-06-08
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
分子名称: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
著者Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2020-04-06
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6L0X
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The First Tudor Domain of PHF20L1
分子名称: CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1
著者Lv, M.Q, Gao, J.
登録日2019-09-27
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1P
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Crystal structure of PHF20L1 in complex with Hit 1
分子名称: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ...
著者Lv, M.Q, Gao, J.
登録日2019-09-29
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.231 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1C
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Crystal Structure Of of PHF20L1 Tudor1 Y24L mutant
分子名称: GLYCEROL, PHD finger protein 20-like protein 1, SULFATE ION
著者Lv, M.Q, Gao, J.
登録日2019-09-28
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
4I3H
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BU of 4i3h by Molmil
A three-gate structure of topoisomerase IV from Streptococcus pneumoniae
分子名称: DNA (5'-D(*CP*AP*AP*AP*GP*GP*CP*GP*GP*TP*AP*AP*TP*AP*CP*GP*GP*TP*TP*AP*TP*CP*CP*AP*CP*AP*GP*AP*AP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*TP*TP*CP*TP*GP*TP*GP*GP*AP*TP*AP*AP*CP*CP*GP*TP*AP*TP*TP*AP*CP*CP*GP*CP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, ...
著者Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R.
登録日2012-11-26
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
4JUO
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BU of 4juo by Molmil
A low-resolution three-gate structure of topoisomerase IV from Streptococcus pneumoniae in space group H32
分子名称: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ...
著者Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R.
登録日2013-03-25
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (6.53 Å)
主引用文献Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
2KJX
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BU of 2kjx by Molmil
Solution structure of the extracellular domain of JTB
分子名称: Jumping translocation breakpoint protein
著者Rousseau, F, Lingel, A, Pan, B, Fairbrother, W.J, Bazan, F.
登録日2009-06-10
公開日2010-08-11
最終更新日2012-04-18
実験手法SOLUTION NMR
主引用文献The structure of the extracellular domain of the jumping translocation breakpoint protein reveals a variation of the midkine fold.
J.Mol.Biol., 415, 2012
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
分子名称: Histone deacetylase complex subunit SAP18
著者McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
登録日2006-06-20
公開日2007-04-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006

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