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6IEX
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BU of 6iex by Molmil
Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL
分子名称: Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen
著者Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J.
登録日2018-09-17
公開日2019-09-18
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner.
Mol.Immunol., 112, 2019
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-04-27
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
3U3I
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BU of 3u3i by Molmil
A RNA binding protein from Crimean-Congo hemorrhagic fever virus
分子名称: Nucleocapsid protein
著者Guo, Y, Wang, W.M, Ji, W, Deng, M, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
登録日2011-10-06
公開日2012-03-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Crimean-Congo hemorrhagic fever virus nucleoprotein reveals endonuclease activity in bunyaviruses
Proc.Natl.Acad.Sci.USA, 109, 2012
3L8J
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BU of 3l8j by Molmil
Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity
分子名称: Programmed cell death protein 10
著者Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J.
登録日2009-12-31
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity.
J.Biol.Chem., 285, 2010
3L8I
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BU of 3l8i by Molmil
Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity
分子名称: Programmed cell death protein 10
著者Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J.
登録日2009-12-31
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity.
J.Biol.Chem., 285, 2010
6LUM
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BU of 6lum by Molmil
Structure of Mycobacterium smegmatis succinate dehydrogenase 2
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ...
著者Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z.
登録日2020-01-29
公開日2020-05-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-05-07
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7N8T
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BU of 7n8t by Molmil
Crystal Structure of AMP-bound Human JNK2
分子名称: ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9
著者Li, L, Gurbani, D, Westover, K.D.
登録日2021-06-15
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
2FRZ
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BU of 2frz by Molmil
Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F/V247L/C334A)
分子名称: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
登録日2006-01-20
公開日2007-01-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation
To be Published
3RQG
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BU of 3rqg by Molmil
Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD4
分子名称: Paxillin LD4 peptide, Programmed cell death protein 10
著者Li, X, Zhang, R, Boggon, T.J.
登録日2011-04-28
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Recognition of Leucine-Aspartate Repeat (LD) Motifs by the Focal Adhesion Targeting Homology Domain of Cerebral Cavernous Malformation 3 (CCM3).
J.Biol.Chem., 286, 2011
3RQF
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BU of 3rqf by Molmil
Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD2
分子名称: Paxillin LD2 peptide, Programmed cell death protein 10
著者Li, X, Zhang, R, Boggon, T.J.
登録日2011-04-28
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Recognition of Leucine-Aspartate Repeat (LD) Motifs by the Focal Adhesion Targeting Homology Domain of Cerebral Cavernous Malformation 3 (CCM3).
J.Biol.Chem., 286, 2011
3RQE
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BU of 3rqe by Molmil
Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD1
分子名称: Paxillin LD1 peptide, Programmed cell death protein 10
著者Li, X, Zhang, R, Boggon, T.J.
登録日2011-04-28
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Recognition of Leucine-Aspartate Repeat (LD) Motifs by the Focal Adhesion Targeting Homology Domain of Cerebral Cavernous Malformation 3 (CCM3).
J.Biol.Chem., 286, 2011
8ELC
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BU of 8elc by Molmil
Human JNK2 bound to covalent inhibitor YL2056
分子名称: 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9
著者Li, L, Gurbani, D, Westover, K.D.
登録日2022-09-23
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
6ADQ
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BU of 6adq by Molmil
Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
4QZV
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BU of 4qzv by Molmil
Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
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, Dipeptidyl peptidase 4, ...
著者Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
登録日2014-07-29
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
分子名称: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2020-02-07
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
7EJU
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BU of 7eju by Molmil
Junin virus(JUNV) RNA polymerase L complexed with Z protein
分子名称: MAGNESIUM ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
著者Chen, Y.
登録日2021-04-02
公開日2021-07-07
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for recognition and regulation of arenavirus polymerase L by Z protein.
Nat Commun, 12, 2021
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2021-06-01
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZR
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BU of 7ezr by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2021-06-01
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZF
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Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2021-06-01
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022

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