1FU8
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![BU of 1fu8 by Molmil](/molmil-images/mine/1fu8) | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | Descriptor: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | Deposit date: | 2000-09-14 | Release date: | 2000-10-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase. Proteins, 61, 2005
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4G92
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![BU of 4g92 by Molmil](/molmil-images/mine/4g92) | CCAAT-binding complex from Aspergillus nidulans with DNA | Descriptor: | DNA, HAPB protein, HapE, ... | Authors: | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex. Structure, 20, 2012
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6YSK
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![BU of 6ysk by Molmil](/molmil-images/mine/6ysk) | 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | Descriptor: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2020-04-22 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6D2Z
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![BU of 6d2z by Molmil](/molmil-images/mine/6d2z) | Structure of human Usb1 with uridine-adenosine, inactive H208Q mutant | Descriptor: | 5'-R(UP*A)-3'), CHLORIDE ION, U6 snRNA phosphodiesterase | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2018-04-14 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1. Nucleic Acids Res., 46, 2018
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6WL1
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![BU of 6wl1 by Molmil](/molmil-images/mine/6wl1) | Cryo-EM of Form 1 related peptide filament, 36-31-3 | Descriptor: | peptide 36-31-3 | Authors: | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | Deposit date: | 2020-04-17 | Release date: | 2020-12-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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7QDY
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![BU of 7qdy by Molmil](/molmil-images/mine/7qdy) | RNA-bound human SKI complex | Descriptor: | Helicase SKI2W, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), Tetratricopeptide repeat protein 37, ... | Authors: | Koegel, A, Keidel, A, Bonneau, F, Schaefer, I.B, Conti, E. | Deposit date: | 2021-12-01 | Release date: | 2022-02-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism. Mol.Cell, 82, 2022
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7TUJ
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![BU of 7tuj by Molmil](/molmil-images/mine/7tuj) | NMR solution structure of the phosphorylated MUS81-binding region from human SLX4 | Descriptor: | Structure-specific endonuclease subunit SLX4 | Authors: | Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M. | Deposit date: | 2022-02-02 | Release date: | 2022-10-19 | Last modified: | 2022-11-09 | Method: | SOLUTION NMR | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease. Cell Rep, 41, 2022
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3ZDA
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![BU of 3zda by Molmil](/molmil-images/mine/3zda) | Structure of E. coli ExoIX in complex with a fragment of the Flap1 DNA oligonucleotide, potassium and magnesium | Descriptor: | 5'-D(*AP*AP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP)-3', MAGNESIUM ION, ... | Authors: | Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2012-11-26 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases Nucleic Acids Res., 41, 2013
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4YYO
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![BU of 4yyo by Molmil](/molmil-images/mine/4yyo) | Resting state of rat cysteine dioxygenase C164S variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-03-24 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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5N8N
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![BU of 5n8n by Molmil](/molmil-images/mine/5n8n) | Contracted sheath of a Pseudomonas aeruginosa type six secretion system consisting of TssB1 and TssC1 | Descriptor: | EvpB family type VI secretion protein, Type VI secretion protein, family | Authors: | Salih, O, He, S, Stach, L, Macdonald, J.T, Planamente, S, Manoli, E, Scheres, S, Filloux, A, Freemont, P.S. | Deposit date: | 2017-02-23 | Release date: | 2018-01-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Atomic Structure of Type VI Contractile Sheath from Pseudomonas aeruginosa. Structure, 26, 2018
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5K4W
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![BU of 5k4w by Molmil](/molmil-images/mine/5k4w) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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6CDU
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![BU of 6cdu by Molmil](/molmil-images/mine/6cdu) | Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone | Descriptor: | (3a,5a)-3-Hydroxypregnane-11,20-dione, chimeric alpha1GABAA receptor | Authors: | Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P. | Deposit date: | 2018-02-09 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural basis of neurosteroid anesthetic action on GABAAreceptors. Nat Commun, 9, 2018
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7U9G
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![BU of 7u9g by Molmil](/molmil-images/mine/7u9g) | Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | Authors: | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | Deposit date: | 2022-03-10 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody. Sci Adv, 8, 2022
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3HPX
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![BU of 3hpx by Molmil](/molmil-images/mine/3hpx) | |
6FQP
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7U0S
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![BU of 7u0s by Molmil](/molmil-images/mine/7u0s) | Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, ACETATE ION, FK506-binding protein 1A, ... | Authors: | DeBouver, N.D, Fox III, D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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6Z43
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![BU of 6z43 by Molmil](/molmil-images/mine/6z43) | Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ... | Authors: | Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H. | Deposit date: | 2020-05-22 | Release date: | 2020-06-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2 To Be Published
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5FAN
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![BU of 5fan by Molmil](/molmil-images/mine/5fan) | Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2, p-coumaroyl-CoA | Authors: | Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin. Plant Cell.Physiol., 57, 2016
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2VFB
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![BU of 2vfb by Molmil](/molmil-images/mine/2vfb) | The structure of Mycobacterium marinum arylamine N-acetyltransferase | Descriptor: | ARYLAMINE N-ACETYLTRANSFERASE | Authors: | Fullam, E, Westwood, I.M, Anderton, M.C, Lowe, E.D, Sim, E, Noble, M.E.M. | Deposit date: | 2007-11-02 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase. J.Mol.Biol., 375, 2008
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8OI4
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![BU of 8oi4 by Molmil](/molmil-images/mine/8oi4) | Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | Descriptor: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | Authors: | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | Deposit date: | 2023-03-22 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154. N Biotechnol, 80, 2023
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5NFE
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![BU of 5nfe by Molmil](/molmil-images/mine/5nfe) | Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-03-14 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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6CIZ
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![BU of 6ciz by Molmil](/molmil-images/mine/6ciz) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile | Descriptor: | 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Fehl, C. | Deposit date: | 2018-02-25 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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6HRH
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![BU of 6hrh by Molmil](/molmil-images/mine/6hrh) | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-27 | Release date: | 2018-11-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 To Be Published
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8OGD
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![BU of 8ogd by Molmil](/molmil-images/mine/8ogd) | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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6Z2O
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![BU of 6z2o by Molmil](/molmil-images/mine/6z2o) | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 21 21 21 | Descriptor: | 1,2-ETHANEDIOL, O-glycan protease, ZINC ION | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-18 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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