4RUG
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4RY0
| Crystal structure of ribose transporter solute binding protein RHE_PF00037 from Rhizobium etli CFN 42, TARGET EFI-511357, in complex with D-ribose | Descriptor: | CALCIUM ION, CHLORIDE ION, Probable ribose ABC transporter, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-12 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357 To be Published
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7B76
| Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | Descriptor: | Avirulence protein LmJ1, IODIDE ION | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-12-09 | Release date: | 2022-01-12 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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4S3F
| IspG in complex with Inhibitor 8 (compound 1077) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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7N1V
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1U
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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5XZE
| Mouse cGAS bound to the inhibitor RU332 | Descriptor: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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7L0N
| Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | Deposit date: | 2020-12-11 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity. Cell, 184, 2021
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7N1X
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1T
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1Q
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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5IR6
| The structure of bd oxidase from Geobacillus thermodenitrificans | Descriptor: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | Authors: | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | Deposit date: | 2016-03-12 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases. Science, 352, 2016
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6DHF
| RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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4RK7
| Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound sucrose | Descriptor: | Glucose-resistance amylase regulator, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-10-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926 To be Published
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7N0H
| CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Jiang, J, Huang, R, Margulies, D. | Deposit date: | 2021-05-25 | Release date: | 2021-06-02 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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7N0G
| CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Jiang, J, Huang, R, Margulies, D. | Deposit date: | 2021-05-25 | Release date: | 2021-06-02 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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7NHQ
| Structure of PSII-I prime (PSII with Psb28, and Psb34) | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | Deposit date: | 2021-02-11 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural insights into photosystem II assembly. Nat.Plants, 7, 2021
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7AKK
| Structure of a complement factor-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | Deposit date: | 2020-10-01 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.395 Å) | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor Nat Commun, 13, 2022
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4RMI
| Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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7NL2
| Structure of Xyn11 from Pseudothermotoga thermarum | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2021-02-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Phylogenetic, functional and structural characterization of a GH10 xylanase active at extreme conditions of temperature and alkalinity Comput Struct Biotechnol J, 19, 2021
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7ALE
| Crystal structure of human PAICS in complex with inhibitor 69 | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | Authors: | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | Deposit date: | 2020-10-06 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Cellular and biochemical validation of a potent PAICS inhibitor To Be Published
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2FU0
| Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain | Descriptor: | cyclophilin, putative | Authors: | Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-25 | Release date: | 2006-02-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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4RXT
| Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose | Descriptor: | Sugar ABC transporter, alpha-L-arabinopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541 To be Published
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6ZWB
| Z-SBTub3 photoswitch bound to tubulin-DARPin D1 complex | Descriptor: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J. | Deposit date: | 2020-07-28 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton. Cell Chem Biol, 28, 2021
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4RYL
| Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-15 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3). Angew.Chem.Int.Ed.Engl., 54, 2015
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