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6OIA
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BU of 6oia by Molmil
(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase
Descriptor: (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ...
Authors:Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B.
Deposit date:2019-04-09
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
Descriptor: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
Deposit date:2020-06-25
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
5HXB
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BU of 5hxb by Molmil
Cereblon in complex with DDB1, CC-885, and GSPT1
Descriptor: 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Chamberlain, P.P, Matyskiela, M, Pagarigan, B.
Deposit date:2016-01-30
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
8H6U
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BU of 8h6u by Molmil
Class I sesquiterpene synthase BCBOT2 (complex)
Descriptor: MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE 2-, ...
Authors:Lou, T.T, Ma, M.
Deposit date:2022-10-18
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
5FPH
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BU of 5fph by Molmil
The GTPase domains of the immunity-related Irga6 dimerize in a parallel head-to-head fashion
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, INTERFERON-INDUCIBLE GTPASE 1, MAGNESIUM ION, ...
Authors:Schulte, K, Pawlowski, N, Faelber, K, Froehlich, C, Howard, J, Daumke, O.
Deposit date:2015-11-30
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Immunity-Related Gtpase Irga6 Dimerizes in a Parallel Head-to-Head Fashion.
Bmc Biol., 14, 2016
6P5N
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BU of 6p5n by Molmil
Structure of a mammalian 80S ribosome in complex with a single translocated Israeli Acute Paralysis Virus IRES and eRF1
Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
Authors:Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
Deposit date:2019-05-30
Release date:2019-09-25
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
7O80
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BU of 7o80 by Molmil
Rabbit 80S ribosome in complex with eRF1 and ABCE1 stalled at the STOP codon in the mutated SARS-CoV-2 slippery site
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
1FDK
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BU of 1fdk by Molmil
CARBOXYLIC ESTER HYDROLASE (PLA2-MJ33 INHIBITOR COMPLEX)
Descriptor: 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-04
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of the complex of bovine pancreatic phospholipase A2 with the inhibitor 1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol,.
Biochemistry, 36, 1997
6UKM
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BU of 6ukm by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
Descriptor: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-05
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKU
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BU of 6uku by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
Descriptor: 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UL0
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BU of 6ul0 by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
Descriptor: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKV
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BU of 6ukv by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9
Descriptor: 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
4X86
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BU of 4x86 by Molmil
Crystal structure of BAG6-Ubl4a complex
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Large proline-rich protein BAG6, SULFATE ION, ...
Authors:Kuwabara, N, Kato, R.
Deposit date:2014-12-10
Release date:2015-02-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a BAG6 (Bcl-2-associated Athanogene 6)-Ubl4a (Ubiquitin-like Protein 4a) Complex Reveals a Novel Binding Interface That Functions in Tail-anchored Protein Biogenesis
J.Biol.Chem., 290, 2015
7YVB
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BU of 7yvb by Molmil
Aplysia californica FaNaC in ligand bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FMRFamide-gated Na+ channel, ...
Authors:Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
Deposit date:2022-08-19
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
7YVC
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Aplysia californica FaNaC in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
Deposit date:2022-08-19
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
7JMY
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BU of 7jmy by Molmil
Solution NMR structure of human Brd3 ET domain
Descriptor: Bromodomain-containing protein 3
Authors:Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
Deposit date:2020-08-03
Release date:2021-03-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
5IFG
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BU of 5ifg by Molmil
Crystal structure of HigA-HigB complex from E. Coli
Descriptor: Antitoxin HigA, mRNA interferase HigB
Authors:Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2016-02-26
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
4XAC
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BU of 4xac by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca complexed with 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, EvdO2, IMIDAZOLE, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCA
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BU of 4xca by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAB
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BU of 4xab by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca
Descriptor: EvdO2, IMIDAZOLE, NICKEL (II) ION
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAA
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BU of 4xaa by Molmil
Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57
Descriptor: NICKEL (II) ION, Putative oxygenase
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCB
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BU of 4xcb by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound
Descriptor: 2-OXOGLUTARIC ACID, HYGROMYCIN B VARIANT, NICKEL (II) ION, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XBZ
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BU of 4xbz by Molmil
Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca
Descriptor: EvdO1, GLYCEROL, NICKEL (II) ION
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
1BZO
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BU of 1bzo by Molmil
THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU,ZN SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI, SOLVED BY X-RAY CRYSTALLOGRAPHY.
Descriptor: COPPER (II) ION, PROTEIN (SUPEROXIDE DISMUTASE), URANYL (VI) ION, ...
Authors:Bordo, D, Matak, D, Djinovic-Carugo, K, Rosano, C, Pesce, A, Bolognesi, M, Stroppolo, M.E, Falconi, M, Battistoni, A, Desideri, A.
Deposit date:1998-11-02
Release date:1999-04-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase.
J.Mol.Biol., 285, 1999
4XC9
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BU of 4xc9 by Molmil
Crystal Structure of apo HygX from Streptomyces hygroscopicus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015

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