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6JLS
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BU of 6jls by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis
Descriptor: FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase
Authors:Li, J, Lu, J, Wang, H, Zhu, J.
Deposit date:2019-03-06
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis.
Org.Lett., 21, 2019
8EC7
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BU of 8ec7 by Molmil
HnRNPA2 D290V LCD PM3
Descriptor: Heterogeneous nuclear ribonucleoproteins A2/B1
Authors:Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R.
Deposit date:2022-09-01
Release date:2023-09-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation.
J.Biol.Chem., 300, 2023
7SMV
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BU of 7smv by Molmil
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
Descriptor: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2021-10-26
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
7SNA
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BU of 7sna by Molmil
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
Descriptor: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2021-10-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
7LUX
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BU of 7lux by Molmil
AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2
Descriptor: Nucleoprotein AALALL, TETRAETHYLENE GLYCOL
Authors:Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
5V71
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BU of 5v71 by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
Descriptor: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-17
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.228 Å)
Cite:KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Westover, K, Lu, J.
Deposit date:2017-08-24
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
6BP1
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BU of 6bp1 by Molmil
Crystal structure of human KRAS A59G mutant in complex with GCP
Descriptor: GTPase KRas, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Bera, A.K, Lu, J, Westover, K.D.
Deposit date:2017-11-21
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
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
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
6NOU
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BU of 6nou by Molmil
An scFv derived from ixekizumab
Descriptor: GLYCEROL, scFv derived from ixekizumab
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
5KYK
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BU of 5kyk by Molmil
Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs
Descriptor: 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas
Authors:Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S.
Deposit date:2016-07-21
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
1F03
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BU of 1f03 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
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
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
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
6NYT
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BU of 6nyt by Molmil
Munc13-1 C2B-domain, calcium bound
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
6NYC
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BU of 6nyc by Molmil
Munc13-1 C2B-domain, calcium free
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Munc13-1
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-11
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
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
1ZHA
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BU of 1zha by Molmil
A. aeolicus KDO8PS R106G mutant in complex with PEP and R5P
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-25
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop.
Biochemistry, 44, 2005
1ZJI
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BU of 1zji by Molmil
Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P
Descriptor: 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-28
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop
Biochemistry, 44, 2005
4QPO
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BU of 4qpo by Molmil
Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM
Descriptor: PHOSPHATE ION, Relaxosome protein TraM
Authors:Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M.
Deposit date:2014-06-24
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014

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