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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
Descriptor: Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen
Authors:Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (2.314 Å)
Cite: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
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
Descriptor: 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, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
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
Descriptor: 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, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-04-27
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-05-07
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
3L8J
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BU of 3l8j by Molmil
Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity
Descriptor: Programmed cell death protein 10
Authors:Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J.
Deposit date:2009-12-31
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor: Programmed cell death protein 10
Authors:Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J.
Deposit date:2009-12-31
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity.
J.Biol.Chem., 285, 2010
3U3I
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BU of 3u3i by Molmil
A RNA binding protein from Crimean-Congo hemorrhagic fever virus
Descriptor: Nucleocapsid protein
Authors:Guo, Y, Wang, W.M, Ji, W, Deng, M, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
Deposit date:2011-10-06
Release date:2012-03-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Crimean-Congo hemorrhagic fever virus nucleoprotein reveals endonuclease activity in bunyaviruses
Proc.Natl.Acad.Sci.USA, 109, 2012
6LUM
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BU of 6lum by Molmil
Structure of Mycobacterium smegmatis succinate dehydrogenase 2
Descriptor: (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, ...
Authors:Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z.
Deposit date:2020-01-29
Release date:2020-05-27
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
7N8T
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BU of 7n8t by Molmil
Crystal Structure of AMP-bound Human JNK2
Descriptor: ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9
Authors:Li, L, Gurbani, D, Westover, K.D.
Deposit date:2021-06-15
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
3RQF
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BU of 3rqf by Molmil
Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD2
Descriptor: Paxillin LD2 peptide, Programmed cell death protein 10
Authors:Li, X, Zhang, R, Boggon, T.J.
Deposit date:2011-04-28
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
3RQG
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BU of 3rqg by Molmil
Cerebral cavernous malformation 3 (CCM3) in complex with paxillin LD4
Descriptor: Paxillin LD4 peptide, Programmed cell death protein 10
Authors:Li, X, Zhang, R, Boggon, T.J.
Deposit date:2011-04-28
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Paxillin LD1 peptide, Programmed cell death protein 10
Authors:Li, X, Zhang, R, Boggon, T.J.
Deposit date:2011-04-28
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
2FRZ
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BU of 2frz by Molmil
Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F/V247L/C334A)
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-01-20
Release date:2007-01-16
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pentachlorobenzene oxidation by engineered cytochrome P450cam: Substrate binding and the mechanism of aromatic C-H bond oxidation
To be Published
8ELC
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BU of 8elc by Molmil
Human JNK2 bound to covalent inhibitor YL2056
Descriptor: 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
Authors:Li, L, Gurbani, D, Westover, K.D.
Deposit date:2022-09-23
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.072 Å)
Cite: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
Descriptor: (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, ...
Authors:Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
Deposit date:2014-07-29
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite: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
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: MAGNESIUM ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Chen, Y.
Deposit date:2021-04-02
Release date:2021-07-07
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for recognition and regulation of arenavirus polymerase L by Z protein.
Nat Commun, 12, 2021
7EZR
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BU of 7ezr by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 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
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.27 Å)
Cite: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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BU of 7ezf by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 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
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 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
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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