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6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
Deposit date:2018-06-18
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
8IND
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BU of 8ind by Molmil
Crystal structure of UGT74AN3-UDP-RES
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, ...
Authors:Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INA
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BU of 8ina by Molmil
Crystal structure of UGT74AN3-UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Long, F, Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
7BQ5
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BU of 7bq5 by Molmil
ZIKV sE bound to mAb Z6
Descriptor: Z6 Light Chain, Z6 heavy chain, envelope protein
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
8INO
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BU of 8ino by Molmil
Crystal structure of UGT74AN3 in complex UDP and PER
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Glycosyltransferase, ...
Authors:Long, F, Huang, W.
Deposit date:2023-03-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
7O46
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BU of 7o46 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
Descriptor: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
Authors:Talibov, V.O.
Deposit date:2021-04-05
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7BPK
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BU of 7bpk by Molmil
Zika virus envelope protein mutant bound to mAb
Descriptor: Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-23
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
Descriptor: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
Deposit date:2022-01-11
Release date:2022-03-16
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
7UOH
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BU of 7uoh by Molmil
PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound
Descriptor: (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
Deposit date:2022-04-12
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors.
Bioorg.Med.Chem., 71, 2022
2I9Y
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BU of 2i9y by Molmil
Solution structure of Arabidopsis thaliana protein At1g70830, a member of the major latex protein family
Descriptor: major latex protein-like protein 28 or MLP-like protein 28
Authors:Volkman, B.F, de la Cruz, N.B, Lytle, B.L, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-09-06
Release date:2006-09-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structures of two Arabidopsis thaliana major latex proteins represent novel helix-grip folds.
Proteins, 76, 2009
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
Authors:Hanoulle, X, Moschidi, D.
Deposit date:2021-07-13
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.474 Å)
Cite:NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7XUR
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BU of 7xur by Molmil
The cryo-EM structure of human mini-SNAPc in complex with hU6-1 PSE
Descriptor: DNA (35-MER), ZINC ION, snRNA-activating protein complex subunit 1, ...
Authors:Wang, W, Sun, J.F.
Deposit date:2022-05-19
Release date:2022-12-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural basis of human SNAPc recognizing proximal sequence element of snRNA promoter.
Nat Commun, 13, 2022
8DXT
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BU of 8dxt by Molmil
Fab arm of antibody GAR12 bound to the receptor binding domain of SARS-CoV-2.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab arm of antibody GAR12, Light chain of Fab arm of antibody GAR12, ...
Authors:Langley, D.B, Christ, D, Henry, J.Y.
Deposit date:2022-08-03
Release date:2023-01-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
6WU3
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BU of 6wu3 by Molmil
Structure of VcINDY-Na+ in amphipol
Descriptor: VcINDY
Authors:Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
Deposit date:2020-05-04
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
6IEB
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BU of 6ieb by Molmil
Structure of RVFV Gn and human monoclonal antibody R15
Descriptor: NSmGnGc, R15 H chain, R15 L chain
Authors:Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
Deposit date:2018-09-13
Release date:2019-04-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IW4
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BU of 6iw4 by Molmil
Crystal structure of YFV-17D sE in prefusion state
Descriptor: Envelope protein E
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
Descriptor: Major capsid protein, Virion associated protein
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2022-10-22
Release date:2022-11-16
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
6S1U
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BU of 6s1u by Molmil
Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6S1W
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BU of 6s1w by Molmil
Crystal structure of dimeric M-PMV protease D26N mutant
Descriptor: Gag-Pro-Pol polyprotein
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
6JNF
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BU of 6jnf by Molmil
Cryo-EM structure of the translocator of the outer mitochondrial membrane
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Araiso, Y, Tsutsumi, A, Suzuki, J, Yunoki, K, Kawano, S, Kikkawa, M, Endo, T.
Deposit date:2019-03-14
Release date:2019-10-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structure of the mitochondrial import gate reveals distinct preprotein paths.
Nature, 575, 2019
5KC4
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BU of 5kc4 by Molmil
Structure of TmRibU, orthorhombic crystal form
Descriptor: RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside
Authors:Karpowich, N.K, Wang, D.N, Song, J.M.
Deposit date:2016-06-04
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016
5KC0
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BU of 5kc0 by Molmil
Crystal structure of TmRibU, hexagonal crystal form
Descriptor: RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside
Authors:Karpowich, N.K, Wang, D.N, Song, J.M.
Deposit date:2016-06-03
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2001 Å)
Cite:An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016
6S1V
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BU of 6s1v by Molmil
Crystal structure of dimeric M-PMV protease D26N mutant in complex with inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2019-06-19
Release date:2019-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019

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