2PI6
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![BU of 2pi6 by Molmil](/molmil-images/mine/2pi6) | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chitinase-3-like protein 1, ETHANOL, ... | Authors: | Sharma, P, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | Deposit date: | 2007-04-13 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution. Acta Crystallogr.,Sect.D, 65, 2009
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1H0A
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![BU of 1h0a by Molmil](/molmil-images/mine/1h0a) | Epsin ENTH bound to Ins(1,4,5)P3 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, EPSIN | Authors: | Ford, M.G.J, McMahon, H.T, Evans, P.R. | Deposit date: | 2002-06-12 | Release date: | 2002-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Curvature of Clathrin-Coated Pits Driven by Epsin Nature, 419, 2002
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4E7H
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![BU of 4e7h by Molmil](/molmil-images/mine/4e7h) | PFV intasome prior to 3'-processing, Apo form (UI-Apo) | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*AP*AP*T)-3'), GLYCEROL, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-03-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5701 Å) | Cite: | 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 31, 2012
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6BL6
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![BU of 6bl6 by Molmil](/molmil-images/mine/6bl6) | Crystallization of lipid A transporter MsbA from Salmonella typhimurium | Descriptor: | Lipid A export ATP-binding/permease protein MsbA | Authors: | Padayatti, P.S, Stanfield, R.L, Zhang, Q, Wilson, I.A, Lee, S.C. | Deposit date: | 2017-11-09 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Lipid A Transport Pathway in MsbA. Structure, 27, 2019
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6H25
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![BU of 6h25 by Molmil](/molmil-images/mine/6h25) | Human nuclear RNA exosome EXO-10-MPP6 complex | Descriptor: | Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... | Authors: | Gerlach, P, Schuller, J.M, Falk, S, Basquin, J, Conti, E. | Deposit date: | 2018-07-13 | Release date: | 2018-08-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Distinct and evolutionary conserved structural features of the human nuclear exosome complex. Elife, 7, 2018
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5HU1
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![BU of 5hu1 by Molmil](/molmil-images/mine/5hu1) | BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide | Descriptor: | Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Authors: | Orth, P. | Deposit date: | 2016-01-27 | Release date: | 2016-11-09 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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6YYK
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![BU of 6yyk by Molmil](/molmil-images/mine/6yyk) | Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | Descriptor: | 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To Be Published
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6YYF
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![BU of 6yyf by Molmil](/molmil-images/mine/6yyf) | Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | Descriptor: | 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To Be Published
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7QZW
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![BU of 7qzw by Molmil](/molmil-images/mine/7qzw) | Hm-AMP8 | Descriptor: | Hm-AMP8 | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | Deposit date: | 2022-02-01 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases To Be Published
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7R2P
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![BU of 7r2p by Molmil](/molmil-images/mine/7r2p) | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the oxidized state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-05 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.538 Å) | Cite: | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the oxidized state from Escherichia coli To Be Published
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7R1J
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![BU of 7r1j by Molmil](/molmil-images/mine/7r1j) | Crystal structure of a flavodiiron protein S262Y mutant in the reduced state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Crystal structure of a flavodiiron protein S262Y mutant in the reduced state from Escherichia coli To Be Published
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7R0F
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![BU of 7r0f by Molmil](/molmil-images/mine/7r0f) | Crystal structure of a flavodiiron protein D52K mutant in the oxidized state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-02 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Crystal structure of a flavodiiron protein D52K mutant in the oxidized state from Escherichia coli To Be Published
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6H56
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![BU of 6h56 by Molmil](/molmil-images/mine/6h56) | |
7R2O
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![BU of 7r2o by Molmil](/molmil-images/mine/7r2o) | Crystal structure of a flavodiiron protein S262Y mutant in the oxidized state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-05 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of a flavodiiron protein S262Y mutant in the oxidized state from Escherichia coli To Be Published
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7R3T
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![BU of 7r3t by Molmil](/molmil-images/mine/7r3t) | Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-1,3-glucanase bglH, CHLORIDE ION, ... | Authors: | Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56 To be published
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7R2R
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![BU of 7r2r by Molmil](/molmil-images/mine/7r2r) | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the reduced state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-05 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the reduced state from Escherichia coli To Be Published
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7R1H
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![BU of 7r1h by Molmil](/molmil-images/mine/7r1h) | Crystal structure of a flavodiiron protein D52K mutant in the reduced state from Escherichia coli | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a flavodiiron protein D52K mutant in the reduced state from Escherichia coli To Be Published
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6LRZ
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![BU of 6lrz by Molmil](/molmil-images/mine/6lrz) | Crystal structure of Keap1 in complex with dimethyl fumarate (DMF) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ... | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P. | Deposit date: | 2020-01-16 | Release date: | 2020-08-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1. Febs J., 288, 2021
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5HNG
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![BU of 5hng by Molmil](/molmil-images/mine/5hng) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-18 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6H0K
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![BU of 6h0k by Molmil](/molmil-images/mine/6h0k) | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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5DS4
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![BU of 5ds4 by Molmil](/molmil-images/mine/5ds4) | Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER) | Authors: | Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A. | Deposit date: | 2015-09-16 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Foreign DNA capture during CRISPR-Cas adaptive immunity. Nature, 527, 2015
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7QZM
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![BU of 7qzm by Molmil](/molmil-images/mine/7qzm) | ATAD2 in complex with FragLite28 | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-31 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 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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2BMC
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![BU of 2bmc by Molmil](/molmil-images/mine/2bmc) | Aurora-2 T287D T288D complexed with PHA-680632 | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | Deposit date: | 2005-03-11 | Release date: | 2005-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition. J.Med.Chem., 48, 2005
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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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6H0L
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![BU of 6h0l by Molmil](/molmil-images/mine/6h0l) | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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