8QYE
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4Y36
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![BU of 4y36 by Molmil](/molmil-images/mine/4y36) | Endothiapepsin in complex with fragment 4 | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3K
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![BU of 4y3k by Molmil](/molmil-images/mine/4y3k) | Structure of Vaspin mutant E379S | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | Deposit date: | 2015-02-10 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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4Y3P
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![BU of 4y3p by Molmil](/molmil-images/mine/4y3p) | Endothiapepsin in complex with fragment 17 | Descriptor: | 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8QUC
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![BU of 8quc by Molmil](/molmil-images/mine/8quc) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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8IP8
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![BU of 8ip8 by Molmil](/molmil-images/mine/8ip8) | Wheat 80S ribosome stalled on AUG-Stop boron dependently | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein eL8, 40S ribosomal protein eS1, ... | Authors: | Yokoyama, T, Tanaka, M, Saito, H, Nishimoto, M, Tsuda, K, Sotta, N, Shigematsu, H, Shirouzu, M, Iwasaki, S, Ito, T, Fujiwara, T. | Deposit date: | 2023-03-14 | Release date: | 2024-02-21 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1. Nat.Chem.Biol., 20, 2024
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7QGL
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4Y54
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![BU of 4y54 by Molmil](/molmil-images/mine/4y54) | Endothiapepsin in complex with fragment 56 | Descriptor: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8I7V
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![BU of 8i7v by Molmil](/molmil-images/mine/8i7v) | Cryo-EM structure of Acipimox bound human hydroxy-carboxylic acid receptor 2 in complex with Gi heterotrimer | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Park, J.H, Ishimoto, N, Park, S.Y. | Deposit date: | 2023-02-02 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2. Nat Commun, 14, 2023
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7QGA
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7QGO
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![BU of 7qgo by Molmil](/molmil-images/mine/7qgo) | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Strater, N. | Deposit date: | 2021-12-09 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
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7QIQ
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![BU of 7qiq by Molmil](/molmil-images/mine/7qiq) | CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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4Y3E
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![BU of 4y3e by Molmil](/molmil-images/mine/4y3e) | Endothiapepsin in complex with fragment 5 | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y40
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![BU of 4y40 by Molmil](/molmil-images/mine/4y40) | Structure of Vaspin mutant D305C V383C | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | Deposit date: | 2015-02-10 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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6GQ1
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![BU of 6gq1 by Molmil](/molmil-images/mine/6gq1) | Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GMPPCP/sordarin) | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Pellegrino, S, Demeshkina, N, Mancera-Martinez, E, Melnikov, S, Simonetti, A, Myasnikov, A, Yusupov, M, Yusupova, G, Hashem, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-07-11 | Last modified: | 2018-08-08 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance. J. Mol. Biol., 430, 2018
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7QWR
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![BU of 7qwr by Molmil](/molmil-images/mine/7qwr) | Structure of the ribosome-nascent chain containing an ER signal sequence in complex with NAC | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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6H00
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![BU of 6h00 by Molmil](/molmil-images/mine/6h00) | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ... | Authors: | Mackinnon, S, Wilson, M.P, Shrestha, L, Bezerra, G.A, Newman, J, Fox, N, Sorrell, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Clayton, P.T, Mills, P.B, Yue, W.W. | Deposit date: | 2018-07-05 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant To Be Published
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4YFB
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7QWS
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![BU of 7qws by Molmil](/molmil-images/mine/7qws) | Structure of ribosome translating beta-tubulin in complex with TTC5 and NAC | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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4YGM
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![BU of 4ygm by Molmil](/molmil-images/mine/4ygm) | Vaccinia virus his-D4/A20(1-50) in complex with uracil | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, URACIL, ... | Authors: | Tarbouriech, N, Iseni, F, Burmeister, W.P. | Deposit date: | 2015-02-26 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Vaccinia Virus Uracil-DNA Glycosylase in Complex with DNA. J.Biol.Chem., 290, 2015
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7QIR
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![BU of 7qir by Molmil](/molmil-images/mine/7qir) | CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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4WYZ
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![BU of 4wyz by Molmil](/molmil-images/mine/4wyz) | The crystal structure of the A109G mutant of RNase A in complex with 3'UMP | Descriptor: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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4WZO
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![BU of 4wzo by Molmil](/molmil-images/mine/4wzo) | Complex of 70S ribosome with tRNA-fMet and mRNA | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-11-20 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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7QIS
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![BU of 7qis by Molmil](/molmil-images/mine/7qis) | CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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4WT1
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![BU of 4wt1 by Molmil](/molmil-images/mine/4wt1) | Complex of 70S ribosome with tRNA-Phe and mRNA with A-A mismatch in the second position in the A-site | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-10-29 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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