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6SWT
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BU of 6swt by Molmil
Affimer9 co-crystalised with the CH domains of alpha actinin 2.
Descriptor: Affimer 9, Alpha-actinin-2
Authors:Peckham, M, Trinh, C.H, Rogers, B.
Deposit date:2019-09-23
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Nanoscale Pattern Extraction from Relative Positions of Sparse 3D Localizations.
Nano Lett., 21, 2021
6JM9
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BU of 6jm9 by Molmil
cryo-EM structure of DOT1L bound to unmodified nucleosome
Descriptor: DNA strand I, DNA strand J, Histone H2A, ...
Authors:Jang, S, Song, J.J.
Deposit date:2019-03-07
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
6JKG
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BU of 6jkg by Molmil
The NAD+-free form of human NSDHL
Descriptor: Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
Authors:Kim, D, Lee, S.J, Lee, B.
Deposit date:2019-02-28
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
6JHK
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BU of 6jhk by Molmil
Crystal Structure of Bacillus subtilis RsbS
Descriptor: RsbS negative regulator of sigma-B
Authors:Kwon, E, Pathak, D, Dahal, P, Kim, D.Y.
Deposit date:2019-02-18
Release date:2019-09-11
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural insights into stressosome assembly.
Iucrj, 6, 2019
6JKH
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BU of 6jkh by Molmil
The NAD+-bound form of human NSDHL
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
Authors:Kim, D, Lee, S.J, Lee, B.
Deposit date:2019-02-28
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
6JMA
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BU of 6jma by Molmil
cryo-EM structure of DOT1L bound to H2B ubiquitinated nucleosome
Descriptor: DNA I&J, Histone H2A, Histone H2B 1.1, ...
Authors:Jang, S, Song, J.J.
Deposit date:2019-03-07
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
7QS6
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BU of 7qs6 by Molmil
Solution structure of thanatin-like derivative 7 in complex with E.coli LptA
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
Authors:Moehle, K, Zerbe, O.
Deposit date:2022-01-12
Release date:2023-05-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
6KEC
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BU of 6kec by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
Authors:Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
Deposit date:2021-08-08
Release date:2021-10-06
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
6KEH
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BU of 6keh by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6KEJ
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BU of 6kej by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Descriptor: 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6K40
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BU of 6k40 by Molmil
Crystal structure of alkyl hydroperoxide reductase from D. radiodurans R1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase AhpD, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2019-05-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of the AhpD-like protein DR1765 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 529, 2020
6KEK
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BU of 6kek by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Descriptor: 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
4YQV
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BU of 4yqv by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10
Descriptor: 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
6KN5
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BU of 6kn5 by Molmil
Crystal structure of AFF4 C-terminal domain
Descriptor: AF4/FMR2 family member 4
Authors:Chen, L.J, Yang, W.S, Xu, R.M.
Deposit date:2019-08-03
Release date:2020-07-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acetylation of histone H3K27 signals the transcriptional elongation for estrogen receptor alpha.
Commun Biol, 3, 2020
7R6P
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BU of 7r6p by Molmil
Solution structure of peptide toxin MIITX2-Mg1a from the venom of the Australian giant red bull ant Myrmecia gulosa
Descriptor: U-myrmeciitoxin(02)-Mg1a
Authors:Chin, Y.K, Eagle, D, Bankala, K, Robinson, S.D.
Deposit date:2021-06-23
Release date:2022-02-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A peptide toxin in ant venom mimics vertebrate EGF-like hormones to cause long-lasting hypersensitivity in mammals.
Proc.Natl.Acad.Sci.USA, 119, 2022
4YQU
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BU of 4yqu by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
7SFW
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BU of 7sfw by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP in complex with Fab hVEEV-63 (focus refine of the asymmetric unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
7SFU
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BU of 7sfu by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
7SFV
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BU of 7sfv by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP in complex with Fab hVEEV-63
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
6KEI
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BU of 6kei by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Descriptor: 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6KSY
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BU of 6ksy by Molmil
Crystal structure of arginase from Zymomonas mobilis ZM4
Descriptor: Arginase/agmatinase/formiminoglutamase, ZINC ION
Authors:Park, S.Y, Hwangbo, S.A.
Deposit date:2019-08-26
Release date:2020-08-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Characterization of a Dimeric Arginase FromZymomonas mobilisZM4.
Front Microbiol, 10, 2019
6KU6
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BU of 6ku6 by Molmil
OSM1 mutant - R326A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, SUCCINIC ACID
Authors:Park, H.H, Kim, C.M.
Deposit date:2019-08-30
Release date:2020-07-08
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Crystal Structure of the Active Site Mutant Form of Soluble Fumarate Reductase, Osm1
Crystals, 2019
4ZKJ
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BU of 4zkj by Molmil
Crystal structure of CRISPR-associated protein
Descriptor: CRISPR-associated protein Cas1, GLYCEROL
Authors:Ka, D, Bae, E.
Deposit date:2015-04-30
Release date:2016-01-13
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Streptococcus pyogenes Cas1 and Its Interaction with Csn2 in the Type II CRISPR-Cas System
Structure, 24, 2016
7S24
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BU of 7s24 by Molmil
Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Na(+)/H(+) antiporter NhaA, PENTAETHYLENE GLYCOL
Authors:Drew, D, Brock, J, Uzdavinys, P, Matsuoka, R.
Deposit date:2021-09-03
Release date:2022-08-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the Na + /H + antiporter NhaA at active pH reveals the mechanistic basis for pH sensing.
Nat Commun, 13, 2022

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