6F8V
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![BU of 6f8v by Molmil](/molmil-images/mine/6f8v) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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4Y6N
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![BU of 4y6n by Molmil](/molmil-images/mine/4y6n) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-13 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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8ASJ
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![BU of 8asj by Molmil](/molmil-images/mine/8asj) | Four subunit cytochrome b-c1 complex from Rhodobacter sphaeroides in native nanodiscs - focussed refinement in the b-c conformation | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Cytochrome b, Cytochrome b-c1 subunit IV, ... | Authors: | Swainsbury, D.J.K, Hawkings, F.R, Martin, E.C, Musial, S, Salisbury, J.H, Jackson, P.J, Farmer, D.A, Johnson, M.P, Siebert, C.A, Hitchcock, A, Hunter, C.N. | Deposit date: | 2022-08-19 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structure of the four-subunit Rhodobacter sphaeroides cytochrome bc 1 complex in styrene maleic acid nanodiscs. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ASI
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![BU of 8asi by Molmil](/molmil-images/mine/8asi) | Four subunit cytochrome b-c1 complex from Rhodobacter sphaeroides in native nanodiscs - consensus refinement in the b-b conformation | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Cytochrome b, Cytochrome b-c1 subunit IV, ... | Authors: | Swainsbury, D.J.K, Hawkings, F.R, Martin, E.C, Musial, S, Salisbury, J.H, Jackson, P.J, Farmer, D.A, Johnson, M.P, Siebert, C.A, Hitchcock, A, Hunter, C.N. | Deposit date: | 2022-08-19 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of the four-subunit Rhodobacter sphaeroides cytochrome bc 1 complex in styrene maleic acid nanodiscs. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DK4
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![BU of 8dk4 by Molmil](/molmil-images/mine/8dk4) | Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2 | Descriptor: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W. | Deposit date: | 2022-07-02 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis To Be Published
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1PJQ
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![BU of 1pjq by Molmil](/molmil-images/mine/1pjq) | Structure and function of CysG, the multifunctional methyltransferase/dehydrogenase/ferrochelatase for siroheme synthesis | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase, ... | Authors: | Stroupe, M.E, Leech, H.K, Daniels, D.S, Warren, M.J, Getzoff, E.D. | Deposit date: | 2003-06-03 | Release date: | 2003-12-02 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | CysG structure reveals tetrapyrrole-binding features and novel regulation of siroheme biosynthesis. Nat.Struct.Biol., 10, 2003
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5MSF
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![BU of 5msf by Molmil](/molmil-images/mine/5msf) | MS2 PROTEIN CAPSID/RNA COMPLEX | Descriptor: | 5'-R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)-3', MS2 PROTEIN CAPSID | Authors: | Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 1998-05-15 | Release date: | 1998-11-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a series of RNA aptamers complexed to the same protein target. Nat.Struct.Biol., 5, 1998
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6FC3
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![BU of 6fc3 by Molmil](/molmil-images/mine/6fc3) | |
4R4L
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![BU of 4r4l by Molmil](/molmil-images/mine/4r4l) | Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | Descriptor: | HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1 | Authors: | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | Deposit date: | 2014-08-19 | Release date: | 2015-09-23 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability. Biochemistry, 54, 2015
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8G58
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8AE7
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![BU of 8ae7 by Molmil](/molmil-images/mine/8ae7) | The strucuture of Compound 15 bound to CK2alpha | Descriptor: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | Deposit date: | 2022-07-12 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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4R87
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![BU of 4r87 by Molmil](/molmil-images/mine/4r87) | Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with CoA and spermine | Descriptor: | COENZYME A, DI(HYDROXYETHYL)ETHER, SPERMINE, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-29 | Release date: | 2015-03-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
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6FFT
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![BU of 6fft by Molmil](/molmil-images/mine/6fft) | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2018-01-09 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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5CLV
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![BU of 5clv by Molmil](/molmil-images/mine/5clv) | Crystal Structure of KorA-operator DNA complex (KorA-OA) | Descriptor: | 5'-D(CP*CP*AP*AP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*TP*TP*GP*GP*)-3', TrfB transcriptional repressor protein | Authors: | White, S.A, Hyde, E.I, Rajasekar, K.V. | Deposit date: | 2015-07-16 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
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8GM6
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![BU of 8gm6 by Molmil](/molmil-images/mine/8gm6) | |
4RAV
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![BU of 4rav by Molmil](/molmil-images/mine/4rav) | Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin | Descriptor: | Huntingtin, SULFATE ION, Single-chain Fv, ... | Authors: | De Genst, E, Chirgadze, D.Y, Dobson, C.M. | Deposit date: | 2014-09-11 | Release date: | 2015-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression. J.Mol.Biol., 427, 2015
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8GM7
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8D40
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![BU of 8d40 by Molmil](/molmil-images/mine/8d40) | |
5MVY
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![BU of 5mvy by Molmil](/molmil-images/mine/5mvy) | Thin Filament at low calcium concentration | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | Authors: | Paul, D.M, Squire, J.M, Morris, E.P. | Deposit date: | 2017-01-17 | Release date: | 2018-02-14 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (28.4 Å) | Cite: | Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism. J. Struct. Biol., 197, 2017
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8AEM
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![BU of 8aem by Molmil](/molmil-images/mine/8aem) | Structure of Compound 13 bound to CK2alpha | Descriptor: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | Deposit date: | 2022-07-13 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5FQD
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![BU of 5fqd by Molmil](/molmil-images/mine/5fqd) | Structural basis of Lenalidomide induced CK1a degradation by the crl4crbn ubiquitin ligase | Descriptor: | CASEIN KINASE I ISOFORM ALPHA, DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, ... | Authors: | Petzold, G, Fischer, E.S, Thoma, N.H. | Deposit date: | 2015-12-09 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Basis of Lenalidomide-Induced Ck1Alpha Degradation by the Crl4(Crbn) Ubiquitin Ligase. Nature, 532, 2016
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2J5D
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![BU of 2j5d by Molmil](/molmil-images/mine/2j5d) | NMR structure of BNIP3 transmembrane domain in lipid bicelles | Descriptor: | BCL2/ADENOVIRUS E1B 19 KDA PROTEIN-INTERACTING PROTEIN 3 | Authors: | Bocharov, E.V, Pustovalova, Y.E, Volynsky, P.E, Maslennikov, I.V, Goncharuk, M.V, Ermolyuk, Y.S, Arseniev, A.S. | Deposit date: | 2006-09-14 | Release date: | 2007-04-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Unique dimeric structure of BNip3 transmembrane domain suggests membrane permeabilization as a cell death trigger. J. Biol. Chem., 282, 2007
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6HUB
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![BU of 6hub by Molmil](/molmil-images/mine/6hub) | Yeast 20S proteasome with human beta2c (S171G) in complex with 16 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-05 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6HVT
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6HWA
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![BU of 6hwa by Molmil](/molmil-images/mine/6hwa) | Yeast 20S proteasome in complex with 43 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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