1LH3
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![BU of 1lh3 by Molmil](/molmil-images/mine/1lh3) | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | Descriptor: | CYANIDE ION, LEGHEMOGLOBIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | Deposit date: | 1982-04-23 | Release date: | 1983-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian) Kristallografiya, 25, 1980
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7QZY
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![BU of 7qzy by Molmil](/molmil-images/mine/7qzy) | ATAD2 in complex with FragLite29 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-01 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6YZH
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![BU of 6yzh by Molmil](/molmil-images/mine/6yzh) | Crystal structure of P8C9 bound to CK2alpha | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2020-05-07 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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2PIS
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![BU of 2pis by Molmil](/molmil-images/mine/2pis) | Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs | Descriptor: | DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E. | Deposit date: | 2007-04-13 | Release date: | 2007-10-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs. J.Am.Chem.Soc., 129, 2007
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5WEQ
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![BU of 5weq by Molmil](/molmil-images/mine/5weq) | The crystal structure of a MR78 mutant | Descriptor: | MR78 mutant Fab heavy chain, MR78 mutant light chain | Authors: | Dong, J, Williamson, L.E, Crowe, J.E. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein. Structure, 25, 2017
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6GJQ
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![BU of 6gjq by Molmil](/molmil-images/mine/6gjq) | human NBD1 of CFTR in complex with nanobody T27 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27 | Authors: | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | Deposit date: | 2018-05-16 | Release date: | 2019-06-19 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun, 10, 2019
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5WGW
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![BU of 5wgw by Molmil](/molmil-images/mine/5wgw) | Crystal Structure of Wild-type MalA', malbrancheamide B complex | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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3N75
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![BU of 3n75 by Molmil](/molmil-images/mine/3n75) | X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI | Descriptor: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ... | Authors: | Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A. | Deposit date: | 2010-05-26 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. Embo J., 30, 2011
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6S0U
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![BU of 6s0u by Molmil](/molmil-images/mine/6s0u) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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3N7H
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![BU of 3n7h by Molmil](/molmil-images/mine/3n7h) | Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with DEET (N,N-Diethyl-meta-toluamide) and PEG | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Tsitsanou, K.E, Zographos, S.E. | Deposit date: | 2010-05-27 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents. Cell.Mol.Life Sci., 69, 2012
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6Z19
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![BU of 6z19 by Molmil](/molmil-images/mine/6z19) | Crystal structure of P8C9 bound to CK2alpha | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2020-05-13 | Release date: | 2021-05-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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6HW6
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![BU of 6hw6 by Molmil](/molmil-images/mine/6hw6) | Yeast 20S proteasome in complex with 20 | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | 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 (2.7 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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8ADU
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![BU of 8adu by Molmil](/molmil-images/mine/8adu) | Lipidic alpha-synuclein fibril - polymorph L1A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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7LGV
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![BU of 7lgv by Molmil](/molmil-images/mine/7lgv) | |
7E2Y
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![BU of 7e2y by Molmil](/molmil-images/mine/7e2y) | Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex | Descriptor: | CHOLESTEROL, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | Deposit date: | 2021-02-07 | Release date: | 2021-04-14 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors. Nature, 592, 2021
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7E33
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![BU of 7e33 by Molmil](/molmil-images/mine/7e33) | Serotonin 1E (5-HT1E) receptor-Gi protein complex | Descriptor: | 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | Deposit date: | 2021-02-07 | Release date: | 2021-04-14 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors. Nature, 592, 2021
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8ADS
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![BU of 8ads by Molmil](/molmil-images/mine/8ads) | Lipidic alpha-synuclein fibril - polymorph L2B | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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5JN8
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![BU of 5jn8 by Molmil](/molmil-images/mine/5jn8) | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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7E2Z
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![BU of 7e2z by Molmil](/molmil-images/mine/7e2z) | Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | Deposit date: | 2021-02-07 | Release date: | 2021-04-14 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors. Nature, 592, 2021
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7LO0
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![BU of 7lo0 by Molmil](/molmil-images/mine/7lo0) | Structure of human ASF1a in complex with a TLK2 peptide | Descriptor: | Histone chaperone ASF1A, Serine/threonine-protein kinase tousled-like 2 | Authors: | Simon, B, Calderwood, D, Turk, B.E, Boggon, T.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry. Nat Commun, 13, 2022
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6W9Z
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![BU of 6w9z by Molmil](/molmil-images/mine/6w9z) | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1 | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published
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5X08
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![BU of 5x08 by Molmil](/molmil-images/mine/5x08) | Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound | Descriptor: | ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2017-01-20 | Release date: | 2017-04-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane J. Mol. Biol., 429, 2017
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6Q7I
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![BU of 6q7i by Molmil](/molmil-images/mine/6q7i) | GH3 exo-beta-xylosidase (XlnD) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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6GQW
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![BU of 6gqw by Molmil](/molmil-images/mine/6gqw) | KRAS-169 Q61H GPPNHP + CH-1 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NS6
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![BU of 6ns6 by Molmil](/molmil-images/mine/6ns6) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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