8QC4
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![BU of 8qc4 by Molmil](/molmil-images/mine/8qc4) | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid | Descriptor: | 5-(3-carboxyphenyl)furan-2-carboxylic acid, GLYCEROL, SULFATE ION, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2023-08-25 | Release date: | 2023-11-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.578 Å) | Cite: | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals, 16, 2023
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4IPU
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7A49
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![BU of 7a49 by Molmil](/molmil-images/mine/7a49) | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | Descriptor: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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5YEH
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![BU of 5yeh by Molmil](/molmil-images/mine/5yeh) | Crystal structure of CTCF ZFs4-8-eCBS | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ... | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-17 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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8QBC
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![BU of 8qbc by Molmil](/molmil-images/mine/8qbc) | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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8QBA
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![BU of 8qba by Molmil](/molmil-images/mine/8qba) | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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4XOX
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![BU of 4xox by Molmil](/molmil-images/mine/4xox) | Structure of beta-ketoacyl-ACP synthase I (FabB) from Vibrio Cholerae | Descriptor: | 3-oxoacyl-ACP synthase | Authors: | Hou, J, Grabowski, M, Cymborowski, M, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-01-16 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of beta-ketoacyl-ACP synthase I (FabB) from Vibrio Cholerae to be published
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6ZON
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![BU of 6zon by Molmil](/molmil-images/mine/6zon) | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1 | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-07 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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4XRW
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![BU of 4xrw by Molmil](/molmil-images/mine/4xrw) | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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5YEF
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![BU of 5yef by Molmil](/molmil-images/mine/5yef) | Crystal structure of CTCF ZFs2-8-Hs5-1aE | Descriptor: | DNA (27-MER), Transcriptional repressor CTCF, ZINC ION | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-17 | Release date: | 2017-11-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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7BWI
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![BU of 7bwi by Molmil](/molmil-images/mine/7bwi) | Solution structure of recombinant APETx1 | Descriptor: | Kappa-actitoxin-Ael2a | Authors: | Matsumura, K, Kobayashi, N, Kurita, J, Nishimura, Y, Yokogawa, M, Imai, S, Shimada, I, Osawa, M. | Deposit date: | 2020-04-14 | Release date: | 2020-12-23 | Last modified: | 2021-07-14 | Method: | SOLUTION NMR | Cite: | Mechanism of hERG inhibition by gating-modifier toxin, APETx1, deduced by functional characterization. Bmc Mol Cell Biol, 22, 2021
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5DKW
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4Y0R
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![BU of 4y0r by Molmil](/molmil-images/mine/4y0r) | Bovine beta-lactoglobulin complex with pramocaine crystallized from ammonium sulphate (BLG-PRM2) | Descriptor: | Beta-lactoglobulin, Pramocaine | Authors: | Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K. | Deposit date: | 2015-02-06 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies. Int.J.Biol.Macromol., 80, 2015
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8R7M
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![BU of 8r7m by Molmil](/molmil-images/mine/8r7m) | CTX-M14 in complex with boric acid and 1,2-diol boric ester | Descriptor: | BORIC ACID, Beta-lactamase, GLYCEROL, ... | Authors: | Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C. | Deposit date: | 2023-11-26 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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4XNI
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![BU of 4xni by Molmil](/molmil-images/mine/4xni) | X-ray structure of PepTst1 | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-15 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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8QOX
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![BU of 8qox by Molmil](/molmil-images/mine/8qox) | Two-component assembly of SlaA and SlaB S-layer proteins of Sulfolobus acidocaldarius | Descriptor: | Conserved membrane protein, S-layer protein A | Authors: | Gambelli, L, McLaren, M, Isupov, M, Conners, R, Daum, B. | Deposit date: | 2023-09-29 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (11.2 Å) | Cite: | Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius. Elife, 13, 2024
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8T8A
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5E1X
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![BU of 5e1x by Molmil](/molmil-images/mine/5e1x) | Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 3,4-dichlorophenol bound form | Descriptor: | 3,4-dichlorophenol, Transcriptional regulator, MarR family | Authors: | Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D. | Deposit date: | 2015-09-30 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators TO BE PUBLISHED
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6NCT
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![BU of 6nct by Molmil](/molmil-images/mine/6nct) | Structure of p110alpha/niSH2 - vector data collection | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | Authors: | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2018-12-12 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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6ND5
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![BU of 6nd5 by Molmil](/molmil-images/mine/6nd5) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with chloramphenicol and bound to mRNA and A-, P-, and E-site tRNAs at 2.60A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Plessa, E, Chen, C.-W, Bougas, A, Krokidis, M.G, Dinos, G.P, Polikanov, Y.S. | Deposit date: | 2018-12-13 | Release date: | 2019-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | High-resolution crystal structures of ribosome-bound chloramphenicol and erythromycin provide the ultimate basis for their competition. RNA, 25, 2019
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7TDF
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![BU of 7tdf by Molmil](/molmil-images/mine/7tdf) | AtTPC1 D454N with 1 mM EDTA state I | Descriptor: | Two pore calcium channel protein 1 | Authors: | Dickinson, M.S, Stroud, R.M. | Deposit date: | 2021-12-31 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of multistep voltage activation in plant two-pore channel 1. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TBG
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![BU of 7tbg by Molmil](/molmil-images/mine/7tbg) | AtTPC1 D454N with 1 mM Ca2+ | Descriptor: | CALCIUM ION, SODIUM ION, Two pore calcium channel protein 1 | Authors: | Dickinson, M.S, Stroud, R.M. | Deposit date: | 2021-12-22 | Release date: | 2022-02-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of multistep voltage activation in plant two-pore channel 1. Proc.Natl.Acad.Sci.USA, 119, 2022
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6ZME
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![BU of 6zme by Molmil](/molmil-images/mine/6zme) | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-02 | Release date: | 2020-08-12 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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6NDY
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![BU of 6ndy by Molmil](/molmil-images/mine/6ndy) | Vps4 with Cyclic Peptide Bound in the Central Pore | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ... | Authors: | Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P. | Deposit date: | 2018-12-14 | Release date: | 2019-08-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases. Elife, 8, 2019
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1AU1
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![BU of 1au1 by Molmil](/molmil-images/mine/1au1) | HUMAN INTERFERON-BETA CRYSTAL STRUCTURE | Descriptor: | INTERFERON-BETA, ZINC ION, alpha-D-quinovopyranose-(1-6)-beta-D-glucopyranose, ... | Authors: | Karpusas, M, Nolte, M, Lipscomb, W. | Deposit date: | 1997-09-09 | Release date: | 1998-06-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of human interferon beta at 2.2-A resolution. Proc.Natl.Acad.Sci.USA, 94, 1997
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