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1F04
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BU of 1f04 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
Deposit date:2000-05-14
Release date:2000-06-21
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
7XOE
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BU of 7xoe by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
Descriptor: 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,peptide
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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BU of 7xog by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
Descriptor: 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,peptide, ...
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
2A20
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BU of 2a20 by Molmil
Solution structure of Rim2 Zinc Finger Domain
Descriptor: Regulating synaptic membrane exocytosis protein 2, ZINC ION
Authors:Dulubova, I, Lou, X, Lu, J, Huryeva, I, Alam, A, Schneggenburger, R, Sudhof, T.C, Rizo, J.
Deposit date:2005-06-21
Release date:2005-08-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:A Munc13/RIM/Rab3 tripartite complex: from priming to plasticity?
Embo J., 24, 2005
8T1U
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BU of 8t1u by Molmil
Crystal structure of the DRM2-CTA DNA complex
Descriptor: DNA (5'-D(P*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*AP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*TP*TP*TP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Chen, J, Lu, J, Song, J.
Deposit date:2023-06-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2.
J.Biol.Chem., 299, 2023
2WZZ
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BU of 2wzz by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
Descriptor: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION
Authors:Fitzgerald, P.M.D, Sharma, N, Lu, J.
Deposit date:2009-12-03
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2WZX
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BU of 2wzx by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
Descriptor: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
Authors:Fitzgerald, P.M.D, Sharma, N, Lu, J.
Deposit date:2009-12-03
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
3IL5
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BU of 3il5 by Molmil
Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid
Descriptor: 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
3IL6
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BU of 3il6 by Molmil
Structure of E. faecalis FabH in complex with 2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid
Descriptor: 2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
3IL9
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BU of 3il9 by Molmil
Structure of E. coli FabH
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
3IL7
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BU of 3il7 by Molmil
Crystal structure of S. aureus FabH
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
3IL3
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BU of 3il3 by Molmil
Structure of Haemophilus influenzae FabH
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
3IL4
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BU of 3il4 by Molmil
Structure of E. faecalis FabH in complex with acetyl CoA
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, ACETYL COENZYME *A
Authors:Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K.
Deposit date:2009-08-06
Release date:2009-08-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.
Febs Lett., 583, 2009
6NOV
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BU of 6nov by Molmil
A Fab derived from ixekizumab
Descriptor: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
7MBI
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BU of 7mbi by Molmil
Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor
Descriptor: 2,4,6-trimethylpyridine-3-carboxylic acid, 3C-like proteinase, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2021-03-31
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic alpha-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability.
J.Med.Chem., 65, 2022
3BE9
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BU of 3be9 by Molmil
Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities
Descriptor: 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha
Authors:Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S.
Deposit date:2007-11-16
Release date:2008-11-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.
Bioorg.Med.Chem.Lett., 18, 2008
6VIL
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BU of 6vil by Molmil
Crystal structure of mouse BAHCC1 BAH domain in complex with H3K27me3
Descriptor: BAH and coiled-coil domain-containing protein 1, Histone H3.1
Authors:Song, J, Lu, J.
Deposit date:2020-01-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:BAHCC1 binds H3K27me3 via a conserved BAH module to mediate gene silencing and oncogenesis.
Nat.Genet., 52, 2020
8T12
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BU of 8t12 by Molmil
Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 ordered.
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Biswal, M, Lu, J, Song, J.
Deposit date:2023-06-01
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 ordered.
To Be Published
8T13
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BU of 8t13 by Molmil
Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 disordered
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Biswal, M, Lu, J, Song, J.
Deposit date:2023-06-01
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 disordered
To Be Published
2H9C
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BU of 2h9c by Molmil
Native Crystal Structure of the Isochorismate-Pyruvate Lyase from Pseudomonas aeruginosa
Descriptor: NITRATE ION, Salicylate biosynthesis protein pchB
Authors:Lamb, A.L, Zaitseva, J, Lu, J.
Deposit date:2006-06-09
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Two Crystal Structures of the Isochorismate Pyruvate Lyase from Pseudomonas aeruginosa.
J.Biol.Chem., 281, 2006
4ZQD
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BU of 4zqd by Molmil
Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with the Benzoxadiazole Antagonist 0X3
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-09
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
4ZPR
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BU of 4zpr by Molmil
Crystal Structure of the Heterodimeric HIF-1a:ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-08
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.902 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
4ZPK
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BU of 4zpk by Molmil
Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-08
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
4ZP4
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BU of 4zp4 by Molmil
Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-07
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.355 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
4ZPH
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BU of 4zph by Molmil
Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with Proflavine
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, PROFLAVIN
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-07
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015

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