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7VXZ
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BU of 7vxz by Molmil
Coxsackievirus B3 at pH7.4 (VP3-234Q) incubation with coxsackievirus and adenovirus receptor for 20min
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Wang, Q.L, Liu, C.C.
Deposit date:2021-11-13
Release date:2022-01-19
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Molecular basis of differential receptor usage for naturally occurring CD55-binding and -nonbinding coxsackievirus B3 strains.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VXH
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BU of 7vxh by Molmil
Coxsackievirus B3 full particle at pH7.4 (VP3-234Q)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Wang, Q.L, Liu, C.C.
Deposit date:2021-11-12
Release date:2022-01-19
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Molecular basis of differential receptor usage for naturally occurring CD55-binding and -nonbinding coxsackievirus B3 strains.
Proc.Natl.Acad.Sci.USA, 119, 2022
4N0O
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BU of 4n0o by Molmil
Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA
Descriptor: CALCIUM ION, DNA, Replicase polyprotein 1ab, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
4JWR
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BU of 4jwr by Molmil
Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4N0N
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BU of 4n0n by Molmil
Crystal structure of Arterivirus nonstructural protein 10 (helicase)
Descriptor: MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
4ODE
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BU of 4ode by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 4
Descriptor: (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
9AQZ
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BU of 9aqz by Molmil
Crystal structure of Bcl-xL in complex with a small molecule inhibitor
Descriptor: (3M)-3-(1-{[(1r,3R,5S,7r)-adamantan-1-yl]methyl}-5-methyl-1H-pyrazol-4-yl)-6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1, CADMIUM ION
Authors:Judge, R.A, Judd, A.S.
Deposit date:2024-02-22
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:BCL-X L -targeting antibody-drug conjugates are active in preclinical models and mitigate on-mechanism toxicity of small-molecule inhibitors.
Sci Adv, 10, 2024
7ROQ
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BU of 7roq by Molmil
Alternative Structure of Human ABCA1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aller, S.G.
Deposit date:2021-08-01
Release date:2022-01-19
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Refined ABCA1 with Domain-swapped Regulatory Domains
Plos One, 2022
7LTO
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BU of 7lto by Molmil
Nse5-6 complex
Descriptor: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
Authors:Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L.
Deposit date:2021-02-19
Release date:2021-05-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Integrative analysis reveals unique structural and functional features of the Smc5/6 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
Descriptor: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5E6H
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BU of 5e6h by Molmil
A Linked Jumonji Domain of the KDM5A Lysine Demethylase
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2015-10-09
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases.
J.Biol.Chem., 291, 2016
6J0W
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BU of 6j0w by Molmil
Crystal Structure of Yeast Rtt107 and Nse6
Descriptor: Peptide from DNA repair protein KRE29, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0V
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BU of 6j0v by Molmil
Crystal Structure of Yeast Rtt107
Descriptor: Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
1XMZ
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BU of 1xmz by Molmil
Crystal structure of the dark state of kindling fluorescent protein kfp from anemonia sulcata
Descriptor: BETA-MERCAPTOETHANOL, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
Authors:Quillin, M.L, Anstrom, D.M, Shu, X, O'Leary, S, Kallio, K, Chudakov, D.M, Remington, S.J.
Deposit date:2004-10-04
Release date:2005-04-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kindling Fluorescent Protein from Anemonia sulcata: Dark-State Structure at 1.38 Resolution
Biochemistry, 44, 2005
6J0Y
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BU of 6j0y by Molmil
Crystal Structure of Yeast Rtt107 and Slx4
Descriptor: Peptide from Structure-specific endonuclease subunit SLX4, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0X
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BU of 6j0x by Molmil
Crystal Structure of Yeast Rtt107 and Mms22
Descriptor: Peptide from E3 ubiquitin-protein ligase substrate receptor MMS22, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
4N75
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BU of 4n75 by Molmil
Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
Descriptor: Outer membrane protein assembly factor BamA
Authors:Ni, D.C.
Deposit date:2013-10-14
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Structural and functional analysis of the beta-barrel domain of BamA from Escherichia coli.
Faseb J., 28, 2014
3RJX
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BU of 3rjx by Molmil
Crystal Structure of Hyperthermophilic Endo-Beta-1,4-glucanase
Descriptor: Endoglucanase FnCel5A
Authors:Zheng, B.S, Yang, W, Zhao, X.Y, Wang, Y.G, Lou, Z.Y, Rao, Z.H, Feng, Y.
Deposit date:2011-04-15
Release date:2011-12-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of hyperthermophilic endo-beta-1,4-glucanase: implications for catalytic mechanism and thermostability.
J.Biol.Chem., 287, 2012
3MO2
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BU of 3mo2 by Molmil
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
Descriptor: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Chang, Y, Horton, J.R, Cheng, X.
Deposit date:2010-04-22
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022

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