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7REF
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BU of 7ref by Molmil
Structure of MS3494 from Mycobacterium smegmatis
Descriptor: BROMIDE ION, MS3494
Authors:Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M.
Deposit date:2021-07-12
Release date:2021-08-18
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
6O1C
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BU of 6o1c by Molmil
Alpha-L-fucosidase AlfC D200A mutant in complex with 4-nitrophenyl-a-L-fucopyranoside substrate
Descriptor: 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, AlfC
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-02-19
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
6Q4Y
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BU of 6q4y by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose
Descriptor: LmxM MPT-2, alpha-D-mannopyranose, beta-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
8B7Y
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BU of 8b7y by Molmil
Cryo-EM structure of the E.coli 70S ribosome in complex with the antibiotic Myxovalargin B.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Koller, T.O, Graf, M, Wilson, D.N.
Deposit date:2022-10-03
Release date:2023-01-25
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
6QD6
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BU of 6qd6 by Molmil
Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207
Descriptor: CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207
Authors:Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
Deposit date:2018-12-31
Release date:2019-12-18
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nat.Methods, 18, 2021
6ZIE
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BU of 6zie by Molmil
Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B
Descriptor: CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I.
Deposit date:2020-06-25
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting.
Sci Adv, 7, 2021
5KAI
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BU of 5kai by Molmil
NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-06-01
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.80000925 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
8DP0
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BU of 8dp0 by Molmil
Structure of p110 gamma bound to the Ras inhibitory nanobody NB7
Descriptor: Nanobody NB7, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Nam, S.E, Rathinaswamy, M.K, Yip, C.K.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Allosteric activation or inhibition of PI3K gamma mediated through conformational changes in the p110 gamma helical domain.
Elife, 12, 2023
6WU6
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BU of 6wu6 by Molmil
succinate-coenzyme Q reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6Q4X
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BU of 6q4x by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
Descriptor: SODIUM ION, Uncharacterized protein
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
8BDM
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BU of 8bdm by Molmil
VCB in complex with compound 26
Descriptor: (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-19
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDL
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BU of 8bdl by Molmil
VCB in complex with compound 27
Descriptor: (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-19
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
6NBF
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BU of 6nbf by Molmil
Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein
Descriptor: CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y.
Deposit date:2018-12-07
Release date:2019-04-17
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
Descriptor: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8BDI
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BU of 8bdi by Molmil
VCB in complex with compound 32
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-19
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8QZ1
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BU of 8qz1 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
Descriptor: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.588 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
Descriptor: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
5KK8
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BU of 5kk8 by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
Authors:Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2016-06-21
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
6PXW
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BU of 6pxw by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the top part of the receptor complex.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-28
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
1GAI
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BU of 1gai by Molmil
GLUCOAMYLASE-471 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE
Descriptor: 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ...
Authors:Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B.
Deposit date:1996-03-06
Release date:1996-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism.
Biochemistry, 35, 1996
5CRJ
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BU of 5crj by Molmil
Crystal Structure of the MTERF1 F322A substitution bound to the termination sequence.
Descriptor: DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ...
Authors:Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M.
Deposit date:2015-07-23
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
6WDS
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BU of 6wds by Molmil
Enterovirus D68 in complex with human monoclonal antibody EV68-159
Descriptor: EV68-159 heavy chain, EV68-159 light chain, viral protein 1, ...
Authors:Fu, J, Klose, T, Vogt, M.R, Crowe, J.E, Rossmann, M.G, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-01
Release date:2020-07-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Human antibodies neutralize enterovirus D68 and protect against infection and paralytic disease.
Sci Immunol, 5, 2020
6U0P
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BU of 6u0p by Molmil
Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1
Descriptor: 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Shi, R, Manenda, M, Picard, M.-E.
Deposit date:2019-08-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
5EGO
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BU of 5ego by Molmil
HOXB13-MEIS1 heterodimer bound to methylated DNA
Descriptor: DNA (5'-D(*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-27
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017

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