5M6X
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![BU of 5m6x by Molmil](/molmil-images/mine/5m6x) | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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7CVN
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![BU of 7cvn by Molmil](/molmil-images/mine/7cvn) | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | Authors: | Wang, X, Zhou, J, Xu, B. | Deposit date: | 2020-08-26 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design,synthesis,biological evaluation and binding mode analysis of 7-nitro-indole-N-acylarylsulfonamide-based fructose-1,6-bisphosphatase inhibitors Chinese journal of medicinal chemistry, 30, 2020
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5M9A
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![BU of 5m9a by Molmil](/molmil-images/mine/5m9a) | Human angiogenin PD variant H13R | Descriptor: | Angiogenin, D(-)-TARTARIC ACID | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | Deposit date: | 2016-11-01 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis. Sci Rep, 7, 2017
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6RS0
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![BU of 6rs0 by Molmil](/molmil-images/mine/6rs0) | GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | Descriptor: | (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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5M9C
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![BU of 5m9c by Molmil](/molmil-images/mine/5m9c) | Human angiogenin ALS variant K40R | Descriptor: | Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | Deposit date: | 2016-11-01 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis. Sci Rep, 7, 2017
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6RT3
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![BU of 6rt3 by Molmil](/molmil-images/mine/6rt3) | Native tetragonal lysozyme - synchrotron data | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Pereira, P.J.B. | Deposit date: | 2019-05-22 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions. Phys Chem Chem Phys, 22, 2020
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5M3I
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![BU of 5m3i by Molmil](/molmil-images/mine/5m3i) | Macrodomain of Mycobacterium tuberculosis DarG | Descriptor: | CHLORIDE ION, RNase III inhibitor | Authors: | Ariza, A. | Deposit date: | 2016-10-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA. Mol. Cell, 64, 2016
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6RTX
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![BU of 6rtx by Molmil](/molmil-images/mine/6rtx) | Crystal structure of the Patched-1 (PTCH1) ectodomain 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1 | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-27 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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7C31
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![BU of 7c31 by Molmil](/molmil-images/mine/7c31) | Crystal structure of the grapevine defensin VvK1 | Descriptor: | Knot1 domain-containing protein | Authors: | Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D. | Deposit date: | 2020-05-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin. Acs Pharmacol Transl Sci, 3, 2020
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5M3W
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![BU of 5m3w by Molmil](/molmil-images/mine/5m3w) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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7CP7
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![BU of 7cp7 by Molmil](/molmil-images/mine/7cp7) | Crystal structure of FqzB, native proteins | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IODIDE ION, MAK1-like monooxygenase | Authors: | Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K. | Deposit date: | 2020-08-06 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Analyses of a Spiro-Carbon-Forming, Highly Promiscuous Epoxidase from Fungal Natural Product Biosynthesis. Biochemistry, 59, 2020
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5LD8
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![BU of 5ld8 by Molmil](/molmil-images/mine/5ld8) | |
5LDE
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![BU of 5lde by Molmil](/molmil-images/mine/5lde) | Crystal structure of a vFLIP-IKKgamma stapled peptide dimer | Descriptor: | Immunoglobulin G-binding protein G,Viral FLICE protein, Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, ... | Authors: | Barrett, T. | Deposit date: | 2016-06-24 | Release date: | 2017-10-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | IKK gamma-Mimetic Peptides Block the Resistance to Apoptosis Associated with Kaposi's Sarcoma-Associated Herpesvirus Infection. J. Virol., 91, 2017
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6RSC
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7C6K
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![BU of 7c6k by Molmil](/molmil-images/mine/7c6k) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form I) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PYROPHOSPHATE 2-, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6W
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![BU of 7c6w by Molmil](/molmil-images/mine/7c6w) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritetraose | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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6RV8
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![BU of 6rv8 by Molmil](/molmil-images/mine/6rv8) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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6RU7
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![BU of 6ru7 by Molmil](/molmil-images/mine/6ru7) | Crystal structure of Casein Kinase I delta (CK1d) in complex with double phosphorylated p63 PAD2P peptide | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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5LEK
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![BU of 5lek by Molmil](/molmil-images/mine/5lek) | The Transcriptional Regulator PrfA-G145S mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), Listeriolysin regulatory protein | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2016-06-29 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7C9P
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![BU of 7c9p by Molmil](/molmil-images/mine/7c9p) | Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2 | Descriptor: | Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2 | Authors: | Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P. | Deposit date: | 2020-06-06 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering. Plant Cell, 32, 2020
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6RVU
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![BU of 6rvu by Molmil](/molmil-images/mine/6rvu) | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) | Descriptor: | 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1) | Authors: | Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | Deposit date: | 2019-06-01 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1. Commun Biol, 5, 2022
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5LGN
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![BU of 5lgn by Molmil](/molmil-images/mine/5lgn) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-07 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J. Med. Chem., 60, 2017
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5LGX
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5LGR
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![BU of 5lgr by Molmil](/molmil-images/mine/5lgr) | Crystal structure of mouse CARM1 in complex with ligand P1C3u | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6RXA
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![BU of 6rxa by Molmil](/molmil-images/mine/6rxa) | EDDS lyase variant D290M/Y320M with bound formate | Descriptor: | Argininosuccinate lyase, FORMIC ACID, GLYCEROL, ... | Authors: | Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H. | Deposit date: | 2019-06-07 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners. Angew.Chem.Int.Ed.Engl., 59, 2020
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