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4YSA
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BU of 4ysa by Molmil
Completely oxidized structure of copper nitrite reductase from Geobacillus thermodenitrificans
Descriptor: COPPER (II) ION, Nitrite reductase, SODIUM ION
Authors:Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E.
Deposit date:2015-03-17
Release date:2016-02-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography
J.Biochem., 159, 2016
8W88
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BU of 8w88 by Molmil
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
8W8A
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BU of 8w8a by Molmil
Cryo-EM structure of the RO5256390-TAAR1 complex
Descriptor: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
5A4M
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BU of 5a4m by Molmil
Mechanism of Hydrogen activation by NiFe-hydrogenases
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ...
Authors:Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A.
Deposit date:2015-06-10
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Hydrogen Activation by [Nife] Hydrogenases.
Nat.Chem.Biol., 12, 2016
5A4I
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BU of 5a4i by Molmil
The mechanism of Hydrogen activation by NiFE-hydrogenases
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.C, Phillips, S.E.V, Armstrong, F.A.
Deposit date:2015-06-10
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
4MSB
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BU of 4msb by Molmil
RNA 10mer duplex with two 2'-5'-linkages
Descriptor: RNA 10mer duplex with two 2'-5'-linkages, STRONTIUM ION
Authors:Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the effects of 2'-5' linkages on the RNA duplex.
Proc.Natl.Acad.Sci.USA, 111, 2014
5FNT
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BU of 5fnt by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5M59
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BU of 5m59 by Molmil
Crystal structure of Chaetomium thermophilum Brr2 helicase core in complex with Prp8 Jab1 domain
Descriptor: ACETATE ION, Pre-mRNA splicing helicase-like protein, Putative pre-mRNA splicing factor
Authors:Absmeier, E, Becke, C, Wollenhaupt, J, Santos, K.F, Wahl, M.C.
Deposit date:2016-10-20
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2.
Cell Cycle, 16, 2017
5A7N
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BU of 5a7n by Molmil
Crystal structure of human JMJD2A in complex with compound 43
Descriptor: 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5FZJ
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BU of 5fzj by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2016-03-14
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5AIG
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BU of 5aig by Molmil
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample- Valpromide complex
Descriptor: 2-PROPYLPENTANAMIDE, DIMETHYL SULFOXIDE, LIMONENE-1,2-EPOXIDE HYDROLASE
Authors:Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D.
Deposit date:2015-02-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
8D8S
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BU of 8d8s by Molmil
SufS from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, Cysteine desulfurase
Authors:Morrison, C.N, Boncella, A.E, Lunin, V.
Deposit date:2022-06-08
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:Structural and Biochemical Characterization of Staphylococcus aureus Cysteine Desulfurase Complex SufSU.
Acs Omega, 7, 2022
6SI7
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BU of 6si7 by Molmil
Structure of the curli secretion-assembly complex CsgG:CsgF
Descriptor: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
Authors:Van der Verren, S.E, Remaut, H.
Deposit date:2019-08-08
Release date:2020-06-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A dual-constriction biological nanopore resolves homonucleotide sequences with high fidelity.
Nat.Biotechnol., 38, 2020
8W89
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BU of 8w89 by Molmil
Cryo-EM structure of the PEA-bound TAAR1-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
6VAW
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BU of 6vaw by Molmil
Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS)
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
Authors:Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
Deposit date:2019-12-18
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
8RHN
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BU of 8rhn by Molmil
Structure of the 55LCC ATPase complex
Descriptor: ATPase family gene 2 protein homolog A, ATPase family gene 2 protein homolog B, Cyclin-dependent kinase 2-interacting protein, ...
Authors:Foglizzo, M, Degtjarik, O, Zeqiraj, E.
Deposit date:2023-12-15
Release date:2024-03-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
5AG2
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BU of 5ag2 by Molmil
SOD-3 azide complex
Descriptor: ACETATE ION, AZIDE ION, MALONATE ION, ...
Authors:Hunter, G.J, Trinh, C.H, Bonetta, R, Stewart, E.E, Cabelli, D.E, Hunter, T.
Deposit date:2015-01-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Structure of the Caenorhabditis Elegans Manganese Superoxide Dismutase Mnsod-3-Azide Complex.
Protein Sci., 24, 2015
6VHL
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BU of 6vhl by Molmil
Paired Helical Filament from Alzheimer's Disease Human Brain Tissue
Descriptor: GLYCINE, Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-10
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
6VFS
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BU of 6vfs by Molmil
ClpXP from Neisseria meningitidis - Conformation A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
Authors:Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-06
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery.
Elife, 9, 2020
8R8R
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BU of 8r8r by Molmil
Cryo-EM structure of the human mPSF with PAPOA C-terminus peptide (PAPOAc)
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*A)-3'), ...
Authors:Todesca, S, Sandmeir, F, Keidel, A, Conti, E.
Deposit date:2023-11-29
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Molecular basis of human poly(A) polymerase recruitment by mPSF.
Rna, 30, 2024
1FTM
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BU of 1ftm by Molmil
CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH AMPA AT 1.7 RESOLUTION
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, GLUTAMATE RECEPTOR SUBUNIT 2, ZINC ION
Authors:Gouaux, E, Armstrong, N.
Deposit date:2000-09-12
Release date:2000-11-01
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanisms for activation and antagonism of an AMPA-sensitive glutamate receptor: crystal structures of the GluR2 ligand binding core.
Neuron, 28, 2000
6BBM
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BU of 6bbm by Molmil
Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB Helicase and Lambda P Helicase Loader Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Replication protein P, Replicative DNA helicase
Authors:Chase, J, Catalano, A, Noble, A.J, Eng, E.T, Olinares, P.D.B, Molloy, K, Pakotiprapha, D, Samuels, M, Chain, B, des Georges, A, Jeruzalmi, D.
Deposit date:2017-10-18
Release date:2019-03-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mechanisms of opening and closing of the bacterial replicative helicase.
Elife, 7, 2018
7B9W
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BU of 7b9w by Molmil
Crystal structure of MurE from E.coli in complex with Z757284380
Descriptor: 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of MurE from E.coli
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223790

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