7AFN
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![BU of 7afn by Molmil](/molmil-images/mine/7afn) | Bacterial 30S ribosomal subunit assembly complex state B (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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8A1W
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![BU of 8a1w by Molmil](/molmil-images/mine/8a1w) | Sodium pumping NADH-quinone oxidoreductase with substrate Q1 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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7AFO
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![BU of 7afo by Molmil](/molmil-images/mine/7afo) | Bacterial 30S ribosomal subunit assembly complex state B (body domain) | Descriptor: | 16SrRNA (body domain of the 30S ribosome), 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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8A1T
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![BU of 8a1t by Molmil](/molmil-images/mine/8a1t) | Sodium pumping NADH-quinone oxidoreductase | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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8A1X
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![BU of 8a1x by Molmil](/molmil-images/mine/8a1x) | Sodium pumping NADH-quinone oxidoreductase with inhibitor DQA | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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8A1Y
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![BU of 8a1y by Molmil](/molmil-images/mine/8a1y) | Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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7AW5
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![BU of 7aw5 by Molmil](/molmil-images/mine/7aw5) | Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3 | Descriptor: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-06 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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5Y3Z
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![BU of 5y3z by Molmil](/molmil-images/mine/5y3z) | Structure of the periplasmic domain of the MotB L119P mutant from Salmonella (crystal form 1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ARGININE, IMIDAZOLE, ... | Authors: | Takao, M, Kojima, S, Sakuma, M, Homma, M, Imada, K. | Deposit date: | 2017-07-31 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Helix Rearrangement in the Periplasmic Domain of the Flagellar Stator B Subunit Activates Peptidoglycan Binding and Ion Influx. Structure, 26, 2018
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5T4W
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![BU of 5t4w by Molmil](/molmil-images/mine/5t4w) | |
5SZR
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![BU of 5szr by Molmil](/molmil-images/mine/5szr) | Protocadherin Gamma B2 extracellular cadherin domains 3-6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Rubinstein, R, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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8A1U
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![BU of 8a1u by Molmil](/molmil-images/mine/8a1u) | Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | Deposit date: | 2022-06-02 | Release date: | 2023-09-20 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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6IY9
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![BU of 6iy9 by Molmil](/molmil-images/mine/6iy9) | Crystal structure of aminoglycoside 7"-phoshotransferase-Ia (APH(7")-Ia/HYG) from Streptomyces hygroscopicus complexed with hygromycin B | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRATE ANION, HYGROMYCIN B VARIANT, ... | Authors: | Takenoya, M, Shimamura, T, Yamanaka, R, Adachi, Y, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2018-12-14 | Release date: | 2019-09-11 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the substrate recognition of aminoglycoside 7''-phosphotransferase-Ia from Streptomyces hygroscopicus. Acta Crystallogr.,Sect.F, 75, 2019
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6NZV
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![BU of 6nzv by Molmil](/molmil-images/mine/6nzv) | Crystal structure of HCV NS3/4A protease in complex with compound 12 | Descriptor: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... | Authors: | Appleby, T.C, Taylor, J.G. | Deposit date: | 2019-02-14 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
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5CTU
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![BU of 5ctu by Molmil](/molmil-images/mine/5ctu) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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8CTE
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![BU of 8cte by Molmil](/molmil-images/mine/8cte) | Class 2 of erythrocyte ankyrin-1 complex (Composite map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Ankyrin-1, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-14 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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5T4G
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![BU of 5t4g by Molmil](/molmil-images/mine/5t4g) | Crystal structure of BhGH81 in complex with laminarin | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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6F20
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![BU of 6f20 by Molmil](/molmil-images/mine/6f20) | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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8CT3
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![BU of 8ct3 by Molmil](/molmil-images/mine/8ct3) | Local refinement of band3-I transmembrane region from class 2 of erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-13 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8P8H
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![BU of 8p8h by Molmil](/molmil-images/mine/8p8h) | Crystal structure of HHD2 domain of hRTEL1 | Descriptor: | Regulator of telomere elongation helicase 1 | Authors: | Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S. | Deposit date: | 2023-06-01 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of HHD2 domain of hRTEL1 To Be Published
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7Q8I
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![BU of 7q8i by Molmil](/molmil-images/mine/7q8i) | Peptide AVAEKQ in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AVAEKQ peptide, CHLORIDE ION, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7ZWV
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![BU of 7zwv by Molmil](/molmil-images/mine/7zwv) | Crystal structure of human BCL6 BTB domain in complex with compound 17 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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1FX9
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![BU of 1fx9 by Molmil](/molmil-images/mine/1fx9) | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS) | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHOLIPASE A2, ... | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | Deposit date: | 2000-09-25 | Release date: | 2001-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding. Biochemistry, 40, 2001
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7Q8O
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![BU of 7q8o by Molmil](/molmil-images/mine/7q8o) | Peptide LLSGKE in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7KD0
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![BU of 7kd0 by Molmil](/molmil-images/mine/7kd0) | Ricin bound to VHH antibody V2C11 | Descriptor: | 1,2-ETHANEDIOL, Anti-RON nanobody, CHLORIDE ION, ... | Authors: | Rudolph, M.J. | Deposit date: | 2020-10-07 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.768 Å) | Cite: | Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface. J.Mol.Biol., 433, 2021
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7ZWQ
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![BU of 7zwq by Molmil](/molmil-images/mine/7zwq) | Crystal structure of human BCL6 BTB domain in complex with compound 10 | Descriptor: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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