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7Q1T
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BU of 7q1t by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
Descriptor: N-PROPANOL, SULFATE ION, apCC-Di-A, ...
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
7KZM
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BU of 7kzm by Molmil
Outer dynein arm bound to doublet microtubules from C. reinhardtii
Descriptor: DC1, DC2, Dynein 11 kDa light chain, ...
Authors:Walton, T, Wu, H, Brown, A.B.
Deposit date:2020-12-10
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structure of a microtubule-bound axonemal dynein.
Nat Commun, 12, 2021
6SU7
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BU of 6su7 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline
Descriptor: 3,4-Dichloroaniline, Glycosyltransferase
Authors:Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
Deposit date:2019-09-13
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
Descriptor: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Swale, C, Bellini, V, Bowler, M.
Deposit date:2021-10-29
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
7KZN
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BU of 7kzn by Molmil
Outer dynein arm core subcomplex from C. reinhardtii
Descriptor: DC1, DC2, Dynein 11 kDa light chain, ...
Authors:Walton, T, Wu, H, Brown, A.B.
Deposit date:2020-12-10
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of a microtubule-bound axonemal dynein.
Nat Commun, 12, 2021
6SGB
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BU of 6sgb by Molmil
mt-SSU assemblosome of Trypanosoma brucei
Descriptor: 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2019-08-03
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
2M0N
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BU of 2m0n by Molmil
Solution structure of a DUF3349 annotated protein from Mycobacterium abscessus, MAB_3403c. Seattle Structural Genomics Center for Infectious Disease target MyabA.17112.a.A2
Descriptor: Putative uncharacterized protein
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-10-30
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural diversity in the Mycobacteria DUF3349 superfamily.
Protein Sci., 29, 2020
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
Descriptor: CADMIUM ION, Conus mucronatus, IODIDE ION
Authors:Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
6MR7
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BU of 6mr7 by Molmil
DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog
Descriptor: 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ...
Authors:Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
7PX2
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BU of 7px2 by Molmil
Conotoxin Mu8.1 from Conus mucronatus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Conotoxin Mu8.1
Authors:Mueller, E, Hackney, C, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
4PP6
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BU of 4pp6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, RESVERATROL
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
Deposit date:2014-02-26
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
7PU4
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BU of 7pu4 by Molmil
Crystal structure of the dimer RBP-N and RBP-Trunc from Thermotoga maritima Ribose Binding Protein
Descriptor: Ribose ABC transporter, periplasmic ribose-binding protein
Authors:Romero-Romero, S, Michel, F, Hocker, B.
Deposit date:2021-09-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Retracing the evolution of a modern periplasmic binding protein.
Protein Sci., 2023
4PDJ
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BU of 4pdj by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+
Descriptor: DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ...
Authors:Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B.
Deposit date:2014-04-18
Release date:2015-04-15
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
7QIA
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BU of 7qia by Molmil
Structure of apo-EleNRMT in complex with two nanobodies at 3.5A
Descriptor: Divalent metal cation transporter, Nanobody 1, Nanobody 2
Authors:Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
Deposit date:2021-12-14
Release date:2021-12-29
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QIC
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BU of 7qic by Molmil
Structure of magnesium-bound EleNRMT in complex with two nanobodies at 4.1A
Descriptor: Divalent metal cation transporter, MAGNESIUM ION, Nanobody 1, ...
Authors:Ramanadane, K, Straub, M.S, Dutzler, R, Manatschal, C.
Deposit date:2021-12-14
Release date:2021-12-29
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family.
Elife, 11, 2022
7QU1
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BU of 7qu1 by Molmil
Machupo virus GP1 glycoprotein in complex with Fab fragment of antibody MAC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab MAC1 heavy chain, Fab MAC1 light chain, ...
Authors:Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies.
Mbio, 13, 2022
7Q5R
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BU of 7q5r by Molmil
Protein community member pyruvate dehydrogenase complex E2 core from C. thermophilum
Descriptor: Acetyltransferase component of pyruvate dehydrogenase complex
Authors:Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
7Q5Q
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BU of 7q5q by Molmil
Protein community member oxoglutarate dehydrogenase complex E2 core from C. thermophilum
Descriptor: Dihydrolipoyllysine-residue succinyltransferase
Authors:Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (4.38 Å)
Cite:Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
7QTY
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BU of 7qty by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Descriptor: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU5
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BU of 7qu5 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU3
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BU of 7qu3 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7Q6Z
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BU of 7q6z by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575
Descriptor: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone, CHOLESTEROL, Megabody 177, ...
Authors:Coupland, C, Carrique, L, Siebold, C.
Deposit date:2021-11-09
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021

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