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7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
Descriptor: Thioredoxin domain-containing protein 17
Authors:Wang, S.Q, Huang, S.Q.
Deposit date:2022-05-06
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XPW
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BU of 7xpw by Molmil
Structure of OhTRP14
Descriptor: Thioredoxin domain-containing protein 17
Authors:Wang, S.Q, Huang, S.Q.
Deposit date:2022-05-05
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
9DC0
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BU of 9dc0 by Molmil
Crystal Structure of European Robin CRY1
Descriptor: Cryptochrome-1
Authors:Wickramaratne, A, Chelliah, Y, Green, C.B, Takahashi, J.S, Zoltowski, B.D.
Deposit date:2024-08-24
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal Structure of European Robin CRY1
To Be Published
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
Deposit date:2020-06-18
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6XYV
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BU of 6xyv by Molmil
NMR solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Cantini, F, Trindade, I.
Deposit date:2020-01-31
Release date:2020-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
6ZK0
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BU of 6zk0 by Molmil
1.47A human IMPase with ebselen
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ...
Authors:Bax, B.D, Fenn, G.D.
Deposit date:2020-06-29
Release date:2020-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
Descriptor: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-08
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
7VUM
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BU of 7vum by Molmil
Crystal structure of SSB complexed with que
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein
Authors:Lin, E.S, Huang, Y.H, Huang, C.Y.
Deposit date:2021-11-03
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
3FHO
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BU of 3fho by Molmil
Structure of S. pombe Dbp5
Descriptor: ATP-dependent RNA helicase dbp5
Authors:Cheng, Z, Song, H.
Deposit date:2008-12-09
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Solution and crystal structures of mRNA exporter Dbp5p and its interaction with nucleotides
J.Mol.Biol., 388, 2009
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH219
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-09-06
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
7YM1
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BU of 7ym1 by Molmil
Structure of SsbA protein in complex with the anticancer drug 5-fluorouracil
Descriptor: 5-FLUOROURACIL, GLYCEROL, Single-stranded DNA-binding protein
Authors:Huang, Y.H, Yang, P.C, Chiang, W.Y, Lin, E.S, Huang, C.Y.
Deposit date:2022-07-27
Release date:2023-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
5UMO
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BU of 5umo by Molmil
STRUCTURE OF EXTRACELLULAR SIGNAL-REGULATED KINASE
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION
Authors:CHLEBOWICZ, J, ZHANG, F, GOLDSMITH, E.J.
Deposit date:2017-01-27
Release date:2017-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Atomic structure of the MAP kinase ERK2 at 2.3 A resolution.
Nature, 367, 1994
9PDD
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BU of 9pdd by Molmil
22bin20S complex (NSF-alphaSNAP-2:2 syntaxin-1a:SNAP-25), hydrolyzing, class 29
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-soluble NSF attachment protein, ...
Authors:White, K.I, Brunger, A.T.
Deposit date:2025-06-30
Release date:2025-08-06
Last modified:2025-10-08
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural remodeling of target-SNARE protein complexes by NSF enables synaptic transmission.
Nat Commun, 16, 2025
4Y3E
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BU of 4y3e by Molmil
Endothiapepsin in complex with fragment 5
Descriptor: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6LXG
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BU of 6lxg by Molmil
NMR solution structure of regulatory ACT domain of the Mycobacterium tuberculosis Rel protein
Descriptor: GTP pyrophosphokinase
Authors:Shin, J, Singal, B, Manimekalai, M.S.S, Gruber, G.
Deposit date:2020-02-11
Release date:2020-11-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Atomic structure of, and valine binding to the regulatory ACT domain of the Mycobacterium tuberculosis Rel protein.
Febs J., 288, 2021
8WQ9
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BU of 8wq9 by Molmil
Crystal structure of dihydropyrimidinase complexed with gamma-aminobutyric acid
Descriptor: D-hydantoinase/dihydropyrimidinase, GAMMA-AMINO-BUTANOIC ACID, ZINC ION
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2023-10-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The complexed crystal structure of dihydropyrimidinase reveals a potential interactive link with the neurotransmitter gamma-aminobutyric acid (GABA).
Biochem.Biophys.Res.Commun., 692, 2024
6MVH
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BU of 6mvh by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-galactosidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6MVF
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BU of 6mvf by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Facaelibacterium prausnitzii L2-6
Descriptor: Beta-galactosidase/beta-glucuronidase, FLAVIN MONONUCLEOTIDE
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6MVG
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BU of 6mvg by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Ruminococcus gnavus
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, beta-glucuronidase
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
5WT4
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BU of 5wt4 by Molmil
L-Cysteine-PLP intermediate of NifS from Helicobacter pylori
Descriptor: Cysteine desulfurase IscS, ISOPROPYL ALCOHOL, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
Authors:Fujishiro, T, Nakamura, R, Takahashi, T.
Deposit date:2016-12-09
Release date:2017-12-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 2019
6GKF
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BU of 6gkf by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser139
Descriptor: 14-3-3 protein gamma, Caspase-2
Authors:Alblova, M, Obsil, T, Obsilova, V.
Deposit date:2018-05-20
Release date:2018-10-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
6KFD
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BU of 6kfd by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with iodoacetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hydroxynitrile lyase, iodoacetic acid
Authors:Motojima, F, Izumi, A, Asano, Y.
Deposit date:2019-07-07
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
5J78
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BU of 5j78 by Molmil
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
Descriptor: ACETATE ION, Acetaldehyde dehydrogenase (Acetylating), GLYCEROL, ...
Authors:Crennell, S.J, Extance, J.P, Danson, M.J.
Deposit date:2016-04-06
Release date:2016-09-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016

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数据于2025-12-03公开中

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