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9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
8Z9B
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BU of 8z9b by Molmil
Low molecular weight antigen MTB12
Descriptor: Low molecular weight antigen MTB12
Authors:Park, H.H, Han, J.H.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel structure of secreted small molecular weight antigen Mtb12 from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 717, 2024
8Y65
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BU of 8y65 by Molmil
Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate
Descriptor: Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID
Authors:Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y.
Deposit date:2024-02-01
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
8XPX
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BU of 8xpx by Molmil
The Crystal Structure of PARP12 from Biortus.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Shen, Z.
Deposit date:2024-01-04
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of PARP12 from Biortus.
To Be Published
8OSE
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BU of 8ose by Molmil
C. perfringens chitinase CP4_3455 in complex with inhibitor bisdionin C
Descriptor: 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), 1,2-ETHANEDIOL, Chitodextrinase, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-04-18
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:C. perfringens chitinase CP4_3455 in complex with inhibitor bisdionin C
To Be Published
8VS5
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BU of 8vs5 by Molmil
Structure of catalytic domain of telomere resolvase, ResT, from Borrelia garinii
Descriptor: Telomere resolvase ResT
Authors:Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-01-23
Release date:2024-07-17
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.
Nucleic Acids Res., 52, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-23
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
9AZB
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BU of 9azb by Molmil
Crystal structure of LolTv5
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-11
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
8P06
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BU of 8p06 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-06-21
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
9AVK
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BU of 9avk by Molmil
Structure of long Rib domain from Limosilactobacillus reuteri
Descriptor: SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein
Authors:Xue, Y, Kang, X.
Deposit date:2024-03-04
Release date:2024-05-08
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
9F4K
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BU of 9f4k by Molmil
UP1 in complex with ZINC72259689
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8YNJ
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BU of 8ynj by Molmil
Crystal structure of Langat virus helicase
Descriptor: Serine protease NS3
Authors:Chen, C, Xue, L.R.
Deposit date:2024-03-11
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of Langat virus helicase
To Be Published
9BIZ
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BU of 9biz by Molmil
Crystal structure of the periplasmic domain of IgaA from Klebsiella pneumoniae
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 2024
8OO4
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BU of 8oo4 by Molmil
X-ray structure of the adduct formed upon reaction of cisplatin with human angiogenin after 1 month soaking
Descriptor: AMMONIA, Angiogenin, PLATINUM (II) ION
Authors:Ferraro, G, Merlino, A.
Deposit date:2023-04-04
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Cisplatin binding to angiogenin protein: new molecular pathways and targets for the drug's anticancer activity.
Dalton Trans, 52, 2023
8XI8
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BU of 8xi8 by Molmil
The Crystal Structure of TAB1 from Biortus.
Descriptor: TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-12-19
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of TAB1 from Biortus.
To Be Published
8VU8
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BU of 8vu8 by Molmil
Wheat Germ Agglutinin (WGA) domain D
Descriptor: Agglutinin isolectin 3
Authors:Titaux-Delgado, G.A, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
9F55
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BU of 9f55 by Molmil
UP1 in complex with Z235361315
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8Y93
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BU of 8y93 by Molmil
Structure of NET-Amitriptyline in outward-open state
Descriptor: Amitriptyline, CHLORIDE ION, SODIUM ION, ...
Authors:Zhang, H, Xu, E.H, Jiang, Y.
Deposit date:2024-02-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
8VU7
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BU of 8vu7 by Molmil
Wheat Germ Agglutinin (WGA) domain C
Descriptor: Agglutinin isolectin 1
Authors:Melchor-Meneses, C.M, del Rio-Portilla, F, Garcia-Hernandez, E.
Deposit date:2024-01-29
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study.
Protein Sci., 33, 2024
8XNG
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BU of 8xng by Molmil
Cryo-EM structure of OSCA1.2-liposome-inside-out closed state
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Zhang, Y, Han, Y.
Deposit date:2023-12-29
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
9ENZ
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BU of 9enz by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with lysozyme (structure A)
Descriptor: ACETATE ION, AMMONIA, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
Descriptor: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
Authors:Ikemori-Kawada, M, Watanabe Miyano, S.
Deposit date:2024-03-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
8OYG
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BU of 8oyg by Molmil
Crystal structure of ASBTNM in complex with pantoate
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, PANTOATE, ...
Authors:Becker, P, Cameron, A.D.
Deposit date:2023-05-04
Release date:2023-07-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of substrate binding and transport in BASS transporters.
Biorxiv, 2023
9BJ0
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BU of 9bj0 by Molmil
Crystal structure of the periplasmic domain of IgaA from Escherichia coli
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 2024

224004

數據於2024-08-21公開中

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