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6TZG
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BU of 6tzg by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S17083
Descriptor: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
8E2I
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BU of 8e2i by Molmil
Cryo-EM structure of BIRC6/Smac
Descriptor: Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein
Authors:Hunkeler, M, Fischer, E.S.
Deposit date:2022-08-15
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
7QHF
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BU of 7qhf by Molmil
[FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Brocks, C, Duan, J, Hofmann, E, Happe, T.
Deposit date:2021-12-12
Release date:2023-09-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases.
Chemsuschem, 2023
8BFR
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BU of 8bfr by Molmil
The E. coli TrpD2 protein YbiB at 1.3 A resolution
Descriptor: GLYCEROL, Protein YbiB
Authors:Deckers, B, Galicia, C, Versees, W.
Deposit date:2022-10-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:YbiB: a novel interactor of the GTPase ObgE.
Nucleic Acids Res., 51, 2023
3JAF
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BU of 3jaf by Molmil
Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine/ivermectin-bound state
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1
Authors:Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E.
Deposit date:2015-06-08
Release date:2015-09-09
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.801 Å)
Cite:Glycine receptor mechanism elucidated by electron cryo-microscopy.
Nature, 526, 2015
3JBP
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BU of 3jbp by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to E-tRNA
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
Authors:Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
Deposit date:2015-09-16
Release date:2015-10-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
8SBF
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BU of 8sbf by Molmil
Full-length structure of the LysR-type transcriptional regulator, ACIAD0746, from Acinetobacter baylyi
Descriptor: GLYCEROL, MAGNESIUM ION, Putative transcriptional regulator (LysR family), ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E, Galloway, N.R.
Deposit date:2023-04-03
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published
8DS9
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BU of 8ds9 by Molmil
LRRC8A:C in MSPE3D1 nanodisc top focus
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
6E9Y
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BU of 6e9y by Molmil
DHF38 filament
Descriptor: DHF38 filament
Authors:Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
Deposit date:2018-08-01
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:De novo design of self-assembling helical protein filaments.
Science, 362, 2018
8DR8
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BU of 8dr8 by Molmil
LRRC8A:C conformation 2 (oblong) top mask
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-20
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
2E6W
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BU of 2e6w by Molmil
Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin
Descriptor: CALCIUM ION, Calsenilin
Authors:Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T.
Deposit date:2007-01-05
Release date:2007-11-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin.
Protein Sci., 16, 2007
8DRE
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BU of 8dre by Molmil
LRRC8A:C conformation 2 (oblong)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-20
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
8DRK
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BU of 8drk by Molmil
LRRC8A:C conformation 1 (round) top focus
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
8DS3
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BU of 8ds3 by Molmil
LRRC8A:C conformation 1 (round)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
Descriptor: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
Authors:Marsh, M.E, Hyvonen, M.
Deposit date:2020-01-08
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
7RGR
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BU of 7rgr by Molmil
Lysozyme 056 from Deep neural language modeling
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION
Authors:Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R.
Deposit date:2021-07-15
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Large language models generate functional protein sequences across diverse families.
Nat.Biotechnol., 2023
3JU9
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BU of 3ju9 by Molmil
Crystal structure of a lectin from Canavalia brasiliensis seed (ConBr) complexed with alpha-aminobutyric acid
Descriptor: CALCIUM ION, CHLORIDE ION, Concanavalin-Br, ...
Authors:Bezerra, E.H.S, Rocha, B.A.M, Nagano, C.S, Bezerra, G.A, Moura, T.R, Bezerra, M.J.B, Benevides, R.G, Marinho, E.S, Delatorre, P, Cavada, B.S.
Deposit date:2009-09-14
Release date:2010-12-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of ConBr reveals molecular correlation between the carbohydrate recognition domain and endothelial NO synthase activation.
Biochem.Biophys.Res.Commun., 408, 2011
8S9X
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BU of 8s9x by Molmil
CRISPR-Cas type III-D effector complex bound to self-target RNA in a post-cleavage state
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
4MCM
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BU of 4mcm by Molmil
Human SOD1 C57S Mutant, As-isolated
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S.
Deposit date:2013-08-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
8DSA
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BU of 8dsa by Molmil
LRRC8A:C in MSP1E3D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
3JWA
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BU of 3jwa by Molmil
Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with methionine phosphinate
Descriptor: (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase
Authors:Revtovish, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V.
Deposit date:2009-09-18
Release date:2010-09-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Three-dimensional structures of noncovalent complexes of Citrobacter freundii methionine gamma-lyase with substrates.
Biochemistry Mosc., 76, 2011
3DY4
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BU of 3dy4 by Molmil
Crystal structure of yeast 20S proteasome in complex with spirolactacystin
Descriptor: Omuralide, open form, Proteasome component C1, ...
Authors:Groll, M, Balskus, E, Jacobsen, E.
Deposit date:2008-07-25
Release date:2008-11-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
4QGT
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BU of 4qgt by Molmil
The Crystal Structure of Human IgG Fc Domain with Enhanced Aromatic Sequon
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Kong, L, Connelly, S.C, Wilson, I.A.
Deposit date:2014-05-25
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Stabilizing the CH2 Domain of an Antibody by Engineering in an Enhanced Aromatic Sequon.
Acs Chem.Biol., 11, 2016
4QH7
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BU of 4qh7 by Molmil
LC8 - Ana2 (159-168) Complex
Descriptor: Anastral spindle 2, Dynein light chain 1, cytoplasmic
Authors:Slevin, L.K, Romes, E.R, Slep, K.C.
Deposit date:2014-05-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor.
J.Biol.Chem., 289, 2014

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