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7P3N
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BU of 7p3n by Molmil
F1Fo-ATP synthase from Acinetobacter baumannii (state 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T.
Deposit date:2021-07-08
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
6GA4
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BU of 6ga4 by Molmil
Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
5CFG
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BU of 5cfg by Molmil
C2 crystal form of APE1 with Mg2+
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION
Authors:Morera, S, Vigouroux, A.
Deposit date:2015-07-08
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural comparison of AP endonucleases from the exonuclease III family reveals new amino acid residues in human AP endonuclease 1 that are involved in incision of damaged DNA.
Biochimie, 128-129, 2016
6GAD
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BU of 6gad by Molmil
BACTERIORHODOPSIN, 530 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
7P1K
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BU of 7p1k by Molmil
Cryo EM structure of bison NHA2 in nano disc structure
Descriptor: CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
7P2Y
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BU of 7p2y by Molmil
F1Fo-ATP synthase from Acinetobacter baumannii (state 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T.
Deposit date:2021-07-06
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
5ABB
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BU of 5abb by Molmil
Visualization of a polytopic membrane protein during SecY-mediated membrane insertion
Descriptor: GREEN-LIGHT ABSORBING PROTEORHODOPSIN, PROTEIN TRANSLOCASE SUBUNIT SECE, PROTEIN TRANSLOCASE SUBUNIT SECY
Authors:Bischoff, L, Wickles, S, Berninghausen, O, vanderSluis, E, Beckmann, R.
Deposit date:2015-08-05
Release date:2015-08-19
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Visualization of a Polytopic Membrane Protein During Secy-Mediated Membrane Insertion.
Nat.Commun., 5, 2014
7PAG
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BU of 7pag by Molmil
The pore conformation of lymphocyte perforin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Perforin-1
Authors:Ivanova, M.E, Lukoyanova, N, Malhotra, S, Topf, M, Trapani, J.A, Voskoboinik, I, Saibil, H.R.
Deposit date:2021-07-29
Release date:2022-02-16
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The pore conformation of lymphocyte perforin.
Sci Adv, 8, 2022
7P1J
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BU of 7p1j by Molmil
Cryo EM structure of bison NHA2 in detergent structure
Descriptor: mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
7P1I
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BU of 7p1i by Molmil
Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix
Descriptor: mitochondrial sodium/hydrogen exchanger 9B2
Authors:Matsuoka, R, Fudim, R, Jung, S, Drew, D.
Deposit date:2021-07-01
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
6GWG
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BU of 6gwg by Molmil
Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose covalently linked to the nucleophile
Descriptor: (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GMI
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BU of 6gmi by Molmil
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
Descriptor: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Rebelein, J.G.
Deposit date:2018-05-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
5AF6
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BU of 5af6 by Molmil
Structure of Lys33-linked diUb bound to Trabid NZF1
Descriptor: TRABID, UBIQUITIN, ZINC ION
Authors:Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D.
Deposit date:2015-01-19
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin.
Mol.Cell, 58, 2015
6GXT
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BU of 6gxt by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
5AD5
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BU of 5ad5 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7NSU
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BU of 7nsu by Molmil
ColicinE9 intact translocation complex
Descriptor: Colicin-E9, Outer membrane protein F, Tol-Pal system protein TolB, ...
Authors:Webby, M.N, Kleanthous, C, Lukoyanova, N, Housden, N.G.
Deposit date:2021-03-08
Release date:2021-08-11
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Porin threading drives receptor disengagement and establishes active colicin transport through Escherichia coli OmpF.
Embo J., 40, 2021
6GG6
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BU of 6gg6 by Molmil
Crystal structure of M2 PYK in complex with Serine.
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
5ABY
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BU of 5aby by Molmil
Complex of C. elegans eIF4E-3 with the 4E-binding protein Mextli
Descriptor: 4E-BINDING PROTEIN MEXTLI, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-3, GLYCEROL, ...
Authors:Peter, D, Weichenrieder, O.
Deposit date:2015-08-09
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mextli Proteins Use Both Canonical Bipartite and Novel Tripartite Binding Modes to Form Eif4E Complexes that Display Differential Sensitivity to 4E-BP Regulation
Genes Dev., 29, 2015
7NSP
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BU of 7nsp by Molmil
Structure of ErmDL-Erythromycin-stalled 70S E. coli ribosomal complex with A and P-tRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Beckert, B, Wilson, D.N.
Deposit date:2021-03-08
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics.
Nat Commun, 12, 2021
7NYH
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BU of 7nyh by Molmil
Respiratory complex I from Escherichia coli - focused refinement of membrane arm
Descriptor: NADH-quinone oxidoreductase subunit A, NADH-quinone oxidoreductase subunit H, NADH-quinone oxidoreductase subunit J, ...
Authors:Kolata, P, Efremov, R.G.
Deposit date:2021-03-22
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
Elife, 10, 2021
6GIU
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BU of 6giu by Molmil
Human IMPase with L-690330
Descriptor: GLYCEROL, Inositol monophosphatase 1, MANGANESE (II) ION, ...
Authors:Kraft, L.V, Roe, S.M.
Deposit date:2018-05-15
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330.
Acta Crystallogr D Struct Biol, 74, 2018
5ADK
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BU of 5adk by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6GJQ
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BU of 6gjq by Molmil
human NBD1 of CFTR in complex with nanobody T27
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-16
Release date:2019-06-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6GKK
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BU of 6gkk by Molmil
Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 1 (m7GppSpApG D1)
Descriptor: Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
Authors:Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2018-05-21
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 1 (m7GppSpApG D1)
To Be Published

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