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5KPX
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BU of 5kpx by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure IV)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
3UX2
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BU of 3ux2 by Molmil
Crystal Structure of Domain-Swapped Fam96a Major dimer
Descriptor: MIP18 family protein FAM96A
Authors:Chen, K.-E, Kobe, B, Martin, J.L.
Deposit date:2011-12-03
Release date:2012-05-30
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The mammalian DUF59 protein Fam96a forms two distinct types of domain-swapped dimer.
Acta Crystallogr.,Sect.D, 68, 2012
5KQZ
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BU of 5kqz by Molmil
Protease E35D-CaP2
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
3UXH
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BU of 3uxh by Molmil
Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2
Descriptor: 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C.
Deposit date:2011-12-05
Release date:2012-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
3UZQ
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BU of 3uzq by Molmil
Crystal structure of the dengue virus serotype 1 envelope protein domain III in complex with the variable domains of Mab 4E11
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A.
Deposit date:2011-12-07
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody.
Structure, 20, 2012
7NAU
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BU of 7nau by Molmil
Bacterial 30S ribosomal subunit assembly complex state C (Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAV
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BU of 7nav by Molmil
Bacterial 30S ribosomal subunit assembly complex state D (Consensus refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
3V0W
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BU of 3v0w by Molmil
Crystal structure of Fab WN1 222-5 in complex with LPS
Descriptor: 2-amino-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-3)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-[L-glycero-alpha-D-manno-heptopyranose-(1-7)]4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-3)-4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, SULFATE ION, WN1 222-5 Fab (IgG2a) heavy chain, ...
Authors:Gomery, K, Evans, S.V.
Deposit date:2011-12-08
Release date:2012-12-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Antibody WN1 222-5 mimics Toll-like receptor 4 binding in the recognition of LPS.
Proc.Natl.Acad.Sci.USA, 109, 2012
7NAT
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BU of 7nat by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (Consensus refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAX
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BU of 7nax by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state I (Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
3UK0
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BU of 3uk0 by Molmil
RPD_1889 protein, an extracellular ligand-binding receptor from Rhodopseudomonas palustris.
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, ...
Authors:Osipiuk, J, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-08
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
7NAR
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BU of 7nar by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state F (+RsgA)(Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
3UL6
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BU of 3ul6 by Molmil
Saccharum officinarum canecystatin-1 in space group P6422
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Canecystatin-1
Authors:Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C.
Deposit date:2011-11-10
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
6A36
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BU of 6a36 by Molmil
Mandelate oxidase mutant-Y128F with the 3-fluoropyruvic acid FMN adduct
Descriptor: 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol, 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
1R6J
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BU of 1r6j by Molmil
Ultrahigh resolution Crystal Structure of syntenin PDZ2
Descriptor: CHLORIDE ION, Syntenin 1
Authors:Kang, B.S, Devedjiev, Y, Derewenda, U, Derewenda, Z.S.
Deposit date:2003-10-15
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.73 Å)
Cite:The PDZ2 domain of syntenin at ultra-high resolution: bridging the gap between small molecule and macromolecular crystal chemistry
J.Mol.Biol., 338, 2004
3UNM
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BU of 3unm by Molmil
Crystal Structure of The Human MDC1 FHA Domain
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3V1U
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BU of 3v1u by Molmil
Crystal structure of a beta-ketoacyl reductase FabG4 from Mycobacterium tuberculosis H37Rv complexed with NAD+ and Hexanoyl-CoA at 2.5 Angstrom resolution
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, HEXANOYL-COENZYME A, ...
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-12-10
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
7N87
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BU of 7n87 by Molmil
Solution NMR structure of peptidase domain from Clostridium thermocellum PCAT1
Descriptor: ABC-type bacteriocin transporter
Authors:Bhattacharya, S, Palillo, A.
Deposit date:2021-06-13
Release date:2021-12-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Protein Sci., 31, 2022
1RWQ
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BU of 1rwq by Molmil
Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE, Dipeptidyl peptidase IV
Authors:Hennig, M, Thoma, R, Stihle, M.
Deposit date:2003-12-17
Release date:2004-12-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents
Bioorg.Med.Chem.Lett., 14, 2004
2C6T
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BU of 2c6t by Molmil
Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Descriptor: 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2005-11-11
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
5KK2
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BU of 5kk2 by Molmil
Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
5KN0
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BU of 5kn0 by Molmil
Native bovine skeletal calsequestrin, low-Ca2+ form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lewis, K.M, Byrd, S, Kang, C.
Deposit date:2016-06-27
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
5KPI
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BU of 5kpi by Molmil
Mouse native PGP
Descriptor: Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-04
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
2CCW
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BU of 2ccw by Molmil
Crystal structure of Azurin II at atomic resolution (1.13 angstrom)
Descriptor: AZURIN II, COPPER (I) ION
Authors:Paraskevopoulos, K, Hough, M.A, Eady, R.R, Hasnain, S.S.
Deposit date:2006-01-18
Release date:2006-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Active Site Structures and the Redox Properties of Blue Copper Proteins: Atomic Resolution Structure of Azurin II and Electronic Structure Calculations of Azurin, Plastocyanin and Stellacyanin.
Dalton Trans., 25, 2006
6AF7
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BU of 6af7 by Molmil
DJ-1 C106S unbound
Descriptor: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018

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