8GMR
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![BU of 8gmr by Molmil](/molmil-images/mine/8gmr) | Cryo-EM structure of octameric human CALHM1 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1 | Authors: | Syrjanen, J.L, Furukawa, H. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red. Nat Commun, 14, 2023
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1EJE
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![BU of 1eje by Molmil](/molmil-images/mine/1eje) | CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ... | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-03-02 | Release date: | 2000-10-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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3FTZ
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![BU of 3ftz by Molmil](/molmil-images/mine/3ftz) | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | Descriptor: | 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2010-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
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3FUL
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![BU of 3ful by Molmil](/molmil-images/mine/3ful) | |
1S6P
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![BU of 1s6p by Molmil](/molmil-images/mine/1s6p) | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-01-26 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants J.Med.Chem., 47, 2004
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6FBJ
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![BU of 6fbj by Molmil](/molmil-images/mine/6fbj) | monoclonal antibody targeting Matrix metalloproteinase 7 | Descriptor: | Heavy Chain, Light chain | Authors: | Dym, O. | Deposit date: | 2017-12-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel monoclonal antibody targeting Matrix metalloproteinase 7 shows therapeutic potential against pancreatic cancer To Be Published
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7XYQ
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![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | Deposit date: | 2022-06-02 | Release date: | 2023-04-12 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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285D
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![BU of 285d by Molmil](/molmil-images/mine/285d) | |
5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | Deposit date: | 2015-04-20 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
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7XAD
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![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | Deposit date: | 2022-03-17 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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286D
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![BU of 286d by Molmil](/molmil-images/mine/286d) | |
2VCD
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![BU of 2vcd by Molmil](/molmil-images/mine/2vcd) | Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin | Descriptor: | Outer membrane protein MIP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Paschke, A.-K, Fischer, G, Roesch, P, Faber, C. | Deposit date: | 2007-09-20 | Release date: | 2008-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the Legionella pneumophila Mip-rapamycin complex. BMC Struct. Biol., 8, 2008
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2DWR
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![BU of 2dwr by Molmil](/molmil-images/mine/2dwr) | |
2I2S
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![BU of 2i2s by Molmil](/molmil-images/mine/2i2s) | Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ... | Authors: | Blanchard, H. | Deposit date: | 2006-08-16 | Release date: | 2007-04-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*) J.Mol.Biol., 367, 2007
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5BWI
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![BU of 5bwi by Molmil](/molmil-images/mine/5bwi) | |
6YA1
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![BU of 6ya1 by Molmil](/molmil-images/mine/6ya1) | Zinc metalloprotease ProA | Descriptor: | ACETATE ION, CALCIUM ION, ZINC ION, ... | Authors: | Schmelz, S, Blankenfeldt, W. | Deposit date: | 2020-03-11 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. Cell.Microbiol., 23, 2021
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297D
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![BU of 297d by Molmil](/molmil-images/mine/297d) | |
5KV9
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![BU of 5kv9 by Molmil](/molmil-images/mine/5kv9) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | Deposit date: | 2016-07-13 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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5KV8
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![BU of 5kv8 by Molmil](/molmil-images/mine/5kv8) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | Deposit date: | 2016-07-13 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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8CLF
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![BU of 8clf by Molmil](/molmil-images/mine/8clf) | Z-SolQ2Br bound to tubulin (T2R-TTL) complex | Descriptor: | 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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7SEA
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![BU of 7sea by Molmil](/molmil-images/mine/7sea) | Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SE7
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![BU of 7se7 by Molmil](/molmil-images/mine/7se7) | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SED
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![BU of 7sed by Molmil](/molmil-images/mine/7sed) | Crystal structure of human Fibrillarin in complex with compound 2a | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEC
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![BU of 7sec by Molmil](/molmil-images/mine/7sec) | Crystal structure of human Fibrillarin in complex with compound 1a | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEB
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![BU of 7seb by Molmil](/molmil-images/mine/7seb) | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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