6YO7
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![BU of 6yo7 by Molmil](/molmil-images/mine/6yo7) | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-04-14 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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5C0K
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![BU of 5c0k by Molmil](/molmil-images/mine/5c0k) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-12 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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4QER
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![BU of 4qer by Molmil](/molmil-images/mine/4qer) | Crystal Structure of the Complex of Phospholipase A2 with Resveratrol at 1.20 A Resolution | Descriptor: | Phospholipase A2 VRV-PL-VIIIa, RESVERATROL, SULFATE ION | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors Biochim.Biophys.Acta, 1854, 2015
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2VX8
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![BU of 2vx8 by Molmil](/molmil-images/mine/2vx8) | Vamp7 longin domain Hrb peptide complex | Descriptor: | CHLORIDE ION, NUCLEOPORIN-LIKE PROTEIN RIP, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7 | Authors: | Evans, P.R, Owen, D.J, Luzio, J.P. | Deposit date: | 2008-07-01 | Release date: | 2008-09-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Basis for the Sorting of the Snare Vamp7 Into Endocytic Clathrin-Coated Vesicles by the Arfgap Hrb. Cell(Cambridge,Mass.), 134, 2008
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7NF9
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![BU of 7nf9 by Molmil](/molmil-images/mine/7nf9) | N-terminal C2H2 Zn-finger domain of Clamp | Descriptor: | Chromatin-linked adaptor for MSL proteins, isoform A, ZINC ION | Authors: | Mariasina, S.S, Bonchuk, A.N, Tikhonova, E.A, Efimov, S.V, Maksimenko, O.G, Georgiev, P.G, Polshakov, V.I. | Deposit date: | 2021-02-05 | Release date: | 2021-12-29 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural basis for interaction between CLAMP and MSL2 proteins involved in the specific recruitment of the dosage compensation complex in Drosophila. Nucleic Acids Res., 50, 2022
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5C4P
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5FRC
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![BU of 5frc by Molmil](/molmil-images/mine/5frc) | Structure of urate oxidase prepared by the 'soak-and-freeze' method under 42 bar of oxygen pressure | Descriptor: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | Deposit date: | 2015-12-16 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology. J.Appl.Crystallogr., 49, 2016
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4MND
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![BU of 4mnd by Molmil](/molmil-images/mine/4mnd) | Crystal structure of Archaeoglobus fulgidus IPCT-DIPPS bifunctional membrane protein | Descriptor: | CTP L-myo-inositol-1-phosphate cytidylyltransferase/CDP-L-myo-inositol myo-inositolphosphotransferase, EICOSANE, MAGNESIUM ION | Authors: | Nogly, P, Gushchin, I, Remeeva, A, Esteves, A.M, Ishchenko, A, Ma, P, Grudinin, S, Borges, N, Round, E, Moraes, I, Borshchevskiy, V, Santos, H, Gordeliy, V, Archer, M. | Deposit date: | 2013-09-10 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism. Nat Commun, 5, 2014
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5K1V
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![BU of 5k1v by Molmil](/molmil-images/mine/5k1v) | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | Deposit date: | 2016-05-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
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6B0G
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![BU of 6b0g by Molmil](/molmil-images/mine/6b0g) | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1245 | Descriptor: | 1245 Antibody, Heavy Chain, Light Chain, ... | Authors: | McLeod, B, Scally, S.W, Bosch, A, King, C.R, Julien, J.P. | Deposit date: | 2017-09-14 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nat Commun, 8, 2017
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5C6X
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![BU of 5c6x by Molmil](/molmil-images/mine/5c6x) | Crystal structure of C-As lyase with Co(II) | Descriptor: | COBALT (II) ION, GLYCEROL, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-06-23 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of C-As lyase with Co(II) To Be Published
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7NRV
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![BU of 7nrv by Molmil](/molmil-images/mine/7nrv) | Paired helical filament from Alzheimer's disease with PET ligand APN-1607 | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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7NRQ
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![BU of 7nrq by Molmil](/molmil-images/mine/7nrq) | Paired helical filament from primary age-related tauopathy brain | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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7NRS
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![BU of 7nrs by Molmil](/molmil-images/mine/7nrs) | Conformation 1 of straight filament from primary age-related tauopathy brain | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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7WPB
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![BU of 7wpb by Molmil](/molmil-images/mine/7wpb) | SARS-CoV-2 Omicron Variant RBD complexed with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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5CAA
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7NRT
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![BU of 7nrt by Molmil](/molmil-images/mine/7nrt) | Conformation 2 of straight filament from primary age-related tauopathy brain | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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6YBJ
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![BU of 6ybj by Molmil](/molmil-images/mine/6ybj) | Structure of MBP-Mcl-1 in complex with compound 3e | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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1UA0
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![BU of 1ua0 by Molmil](/molmil-images/mine/1ua0) | Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase | Descriptor: | 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ... | Authors: | Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S. | Deposit date: | 2004-08-11 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase J.Biol.Chem., 279, 2004
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7NRX
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![BU of 7nrx by Molmil](/molmil-images/mine/7nrx) | Straight filament from Alzheimer's disease with PET ligand APN-1607 | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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6YO2
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![BU of 6yo2 by Molmil](/molmil-images/mine/6yo2) | Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-04-14 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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5CB9
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![BU of 5cb9 by Molmil](/molmil-images/mine/5cb9) | Crystal structure of C-As lyase with mercaptoethonal | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-06-30 | Release date: | 2016-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of C-As lyase with mercaptoethonal To Be Published
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5FMO
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![BU of 5fmo by Molmil](/molmil-images/mine/5fmo) | Crystal structure and proteomics analysis of empty virus like particles of Cowpea mosaic virus | Descriptor: | EMPTY VIRUS LIKE PARTICLES OF COWPEA MOSAIC VIRUS | Authors: | Huynh, N, Hesketh, E.L, Saxena, P, Meshcheriakova, Y, Ku, Y.C, Hoang, L, Johnson, J.E, Ranson, N.A, Lomonossoff, G.P, Reddy, V.S. | Deposit date: | 2015-11-07 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure and Proteomics Analysis of Empty Virus-Like Particles of Cowpea Mosaic Virus. Structure, 24, 2016
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3NYO
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![BU of 3nyo by Molmil](/molmil-images/mine/3nyo) | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with AMP | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, G protein-coupled receptor kinase 6, ... | Authors: | Tesmer, J.J.G, Singh, P. | Deposit date: | 2010-07-15 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Molecular basis for activation of G protein-coupled receptor kinases. Embo J., 29, 2010
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5G0G
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![BU of 5g0g by Molmil](/molmil-images/mine/5g0g) | Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A | Descriptor: | CHLORIDE ION, HDAC6, SODIUM ION, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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