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8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
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:2024-04-24
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8KI6
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BU of 8ki6 by Molmil
Structure of tomato spotted wilt virus L protein binding to Ribavirin
Descriptor: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, RNA-directed RNA polymerase L
Authors:Cao, L, Wang, X.
Deposit date:2023-08-23
Release date:2024-09-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
8G09
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BU of 8g09 by Molmil
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 2 (backbone model)
Descriptor: 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Courbon, G.M, Rubinstein, J.L.
Deposit date:2023-01-31
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
6ZT4
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BU of 6zt4 by Molmil
Pentapeptide repeat protein MfpA from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA
Authors:Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A.
Deposit date:2020-07-17
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
7OO0
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BU of 7oo0 by Molmil
Mechanosensitive channel MscS solubilized with DDM in open conformation
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, Mechanosensitive channel MscS
Authors:Rasmussen, T, Flegler, V.J, Boettcher, B.
Deposit date:2021-05-26
Release date:2021-09-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanosensitive channel gating by delipidation.
Proc.Natl.Acad.Sci.USA, 118, 2021
8TXG
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BU of 8txg by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 8
Descriptor: (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8G0A
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BU of 8g0a by Molmil
Cryo-EM structure of SQ31f-bound Mycobacterium smegmatis ATP synthase rotational state 3
Descriptor: 3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Courbon, G.M, Rubinstein, J.L.
Deposit date:2023-01-31
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
6VHD
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BU of 6vhd by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT129 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
6V6T
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BU of 6v6t by Molmil
Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata
Descriptor: Delta-theraphotoxin-Hm1b
Authors:Chin, Y.K.Y, Chow, C.Y, King, G.F.
Deposit date:2019-12-05
Release date:2020-05-13
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:A selective Na V 1.1 activator with potential for treatment of Dravet syndrome epilepsy.
Biochem Pharmacol, 181, 2020
6UYH
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BU of 6uyh by Molmil
Crystal structure of prolyl-tRNA synthetase from Naegleria fowleri in complex with halofuginone and AMPPNP
Descriptor: 1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-13
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of prolyl-tRNA synthetase from Naegleria fowleri in complex with halofuginone and AMPPNP
TO BE PUBLISHED
7R5P
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BU of 7r5p by Molmil
Strep-tag FtrA-P19 from Rubrivivax gelatinosus in complex with copper and iron
Descriptor: 1,2-ETHANEDIOL, COPPER (I) ION, FtrA-P19 protein, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2022-02-11
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
4WEG
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BU of 4weg by Molmil
influenza virus neuraminidase N9 in complex 2,3-difluorosialic acid
Descriptor: (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, (3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Streltsov, V.A, Pilling, P, Barrett, S, McKimm-Breschkin, J.
Deposit date:2014-09-10
Release date:2015-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Catalytic mechanism and novel receptor binding sites of human parainfluenza virus type 3 hemagglutinin-neuraminidase (hPIV3 HN)
Antiviral Res., 123, 2015
6MWJ
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BU of 6mwj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0863
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Analysis of Burkholderia pseudomallei IspF in complex with sulfapyridine, sulfamonomethoxine, ethoxzolamide and acetazolamide
Acta Crystallogr.,Sect.F, 81, 2025
7OZ1
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BU of 7oz1 by Molmil
Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Skarda, L, Kowal, J, Locher, K.P.
Deposit date:2021-06-25
Release date:2021-09-22
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the Human Cholesterol Transporter ABCG1.
J.Mol.Biol., 433, 2021
6MM8
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BU of 6mm8 by Molmil
Catalytic subunit of cAMP-dependent protein kinase A in complex with RyR2 K2879A, S2813D phosphomimetic (2699-2904) crystal form 2
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:van Petegem, F, Haji-Ghassemi, O.
Deposit date:2018-09-29
Release date:2019-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:cAMP-dependent protein kinase A in complex with RyR2 peptide (2799-2810)
Mol.Cell, 2019
8WAF
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BU of 8waf by Molmil
Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Takano, A, Nakamura, Y, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
6ZOD
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BU of 6zod by Molmil
Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer
Descriptor: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
Authors:Oswald, C, Tam, H.K, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
8HVF
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BU of 8hvf by Molmil
Crystal structure of Thaumatin (100 ms)
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Thaumatin I
Authors:Nam, K.H.
Deposit date:2022-12-26
Release date:2023-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structure of Thaumatin (100 ms)
To Be Published
9JWC
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BU of 9jwc by Molmil
Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP/+L-alliin complex from lactobacillus delbrueckii(LdPatB)
Descriptor: ALLIIN, PYRIDOXAL-5'-PHOSPHATE, cysteine-S-conjugate beta-lyase
Authors:Liu, Y, Yang, C.
Deposit date:2024-10-10
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Cystathionine beta-lyase(PatB)of Lactobacillus lactobacillus delbrueckii at 1.78 ?
To Be Published
9JVA
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BU of 9jva by Molmil
Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP complex from lactobacillus delbrueckii(LdPatB)
Descriptor: PYRIDOXAL-5'-PHOSPHATE, cysteine-S-conjugate beta-lyase
Authors:Liu, Y, Yang, C.
Deposit date:2024-10-08
Release date:2024-11-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Cystathionine beta-lyase(PatB)/PLP complex of Lactobacillus lactobacillus delbrueckii at 1.53 ANG
To Be Published
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-04
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8ONO
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BU of 8ono by Molmil
Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
Descriptor: Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V.
Deposit date:2023-04-03
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
To Be Published
6MJZ
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BU of 6mjz by Molmil
Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174
Descriptor: Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain
Authors:Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-09-24
Release date:2018-11-14
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8TZG
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BU of 8tzg by Molmil
Structure of C-terminal LRRK2 bound to MLi-2 (I2020T mutant)
Descriptor: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023

244693

數據於2025-11-12公開中

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