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7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ...
Authors:Zhang, Z, Xiao, J.
Deposit date:2022-06-06
Release date:2022-09-28
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7Y0V
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BU of 7y0v by Molmil
The co-crystal structure of BA.1-RBD with Fab-5549
Descriptor: 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xiao, J.Y, Zhang, Y.
Deposit date:2022-06-06
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7Y0C
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BU of 7y0c by Molmil
Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ...
Authors:Zhang, Z, Xiao, J.
Deposit date:2022-06-04
Release date:2022-09-28
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7SOT
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BU of 7sot by Molmil
LaM domain of human LARP1 in complex with AAAAAA oligonucleotide
Descriptor: Isoform 2 of La-related protein 1, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION
Authors:Kozlov, G, Gehring, K.
Deposit date:2021-11-01
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural basis of 3'-end poly(A) RNA recognition by LARP1.
Nucleic Acids Res., 50, 2022
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
8IIC
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BU of 8iic by Molmil
Crystal structure of Israeli acute paralysis virus RNA-dependent RNA polymerase delta40 mutant (residues 41-546)
Descriptor: Polymerase polyprotein
Authors:Fang, X, Lu, G, Hou, C, Gong, P.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Unusual substructure conformations observed in crystal structures of a dicistrovirus RNA-dependent RNA polymerase suggest contribution of the N-terminal extension in proper folding.
Virol Sin, 38, 2023
8IIB
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BU of 8iib by Molmil
Crystal structure of Israeli acute paralysis virus RNA-dependent RNA polymerase delta85 mutant (residues 86-546)
Descriptor: CADMIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Fang, X, Lu, G, Hou, C, Gong, P.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Unusual substructure conformations observed in crystal structures of a dicistrovirus RNA-dependent RNA polymerase suggest contribution of the N-terminal extension in proper folding.
Virol Sin, 38, 2023
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
Descriptor: BD55-3546H, BD55-3546L, Spike protein S1, ...
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-09-28
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
1NI9
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BU of 1ni9 by Molmil
2.0 A structure of glycerol metabolism protein from E. coli
Descriptor: Protein glpX, SULFATE ION
Authors:Sanishvili, R, Brunzelle, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-12-23
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
J.Biol.Chem., 284, 2009
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
Authors:Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
Deposit date:2020-09-19
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
Descriptor: BD55-1239H, BD55-1239L, Spike protein S1
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-28
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7F70
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BU of 7f70 by Molmil
Crystal structure of Rv3094c
Descriptor: Rv3094c
Authors:Wang, Z.X, Ouyang, S.Y, Zhang, H.T.
Deposit date:2021-06-26
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
7F74
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BU of 7f74 by Molmil
Rv3094c in complex with FMN.
Descriptor: FLAVIN MONONUCLEOTIDE, Rv3094c
Authors:Wang, Z.X, Ouyang, S.Y.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
7F72
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BU of 7f72 by Molmil
Rv3094c in complex with FAD and ETH.
Descriptor: 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c
Authors:Wang, Z.X, Ouyang, S.Y.
Deposit date:2021-06-27
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
4JNC
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BU of 4jnc by Molmil
Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
Descriptor: 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2
Authors:Shewchuk, L.M.
Deposit date:2013-03-15
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 23, 2013
7JU0
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BU of 7ju0 by Molmil
RebH Variant 0S, Tryptamine 7-halogenase with bound tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
Authors:Andorfer, M.C, Sukumar, N, Lewis, J.C.
Deposit date:2020-08-18
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
4N4F
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BU of 4n4f by Molmil
Crystal Structure of the Bromodomain-PHD Finger Module of Human Transcriptional Co-Activator CBP in complex with di-Acetylated Histone 4 Peptide (H412acK16ac).
Descriptor: CREB-binding protein, Histone 4 Peptide, ZINC ION
Authors:Plotnikov, A.N, Zhou, J, Zhou, M.-M.
Deposit date:2013-10-08
Release date:2014-02-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Insights into Acetylated-Histone H4 Recognition by the Bromodomain-PHD Finger Module of Human Transcriptional Coactivator CBP.
Structure, 22, 2014
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
4HE4
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BU of 4he4 by Molmil
Crystal structure of the yellow fluorescent protein phiYFP (Phialidium sp.)
Descriptor: Yellow fluorescent protein
Authors:Pletneva, N, Pletnev, S, Pletnev, V.Z.
Deposit date:2012-10-03
Release date:2013-05-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Yellow fluorescent protein phiYFPv (Phialidium): structure and structure-based mutagenesis.
Acta Crystallogr.,Sect.D, 69, 2013
6J3P
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BU of 6j3p by Molmil
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
Descriptor: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A
Authors:Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6N0M
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BU of 6n0m by Molmil
CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138
Descriptor: 4-(difluoromethyl)-L-leucine, Sestrin-2
Authors:O'Neill, D.
Deposit date:2018-11-07
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of NV-5138, the first selective Brain mTORC1 activator.
Sci Rep, 9, 2019
2MUN
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BU of 2mun by Molmil
Solution structure of mu-SLPTX3-Ssm6a
Descriptor: Mu-scoloptoxin-Ssm6a
Authors:Undheim, E.A.B, King, G.F, Mobli, M.
Deposit date:2014-09-13
Release date:2015-06-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators.
Structure, 23, 2015
4EDS
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BU of 4eds by Molmil
Crystal structure of far-red fluorescent protein eqFP670
Descriptor: far-red fluorescent protein eqFP650
Authors:Pletnev, S, Pletnev, V.Z, Pletneva, N.V.
Deposit date:2012-03-27
Release date:2012-09-05
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for bathochromic shift of fluorescence in far-red fluorescent proteins eqFP650 and eqFP670.
Acta Crystallogr.,Sect.D, 68, 2012

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