4E5O
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![BU of 4e5o by Molmil](/molmil-images/mine/4e5o) | Crystal structure of mouse thymidylate synthase in complex with dUMP | Descriptor: | 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | Deposit date: | 2012-03-14 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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4DUL
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![BU of 4dul by Molmil](/molmil-images/mine/4dul) | ANAC019 NAC domain crystal form IV | Descriptor: | NAC domain-containing protein 19 | Authors: | Lo Leggio, L, Helgstrand, C, Welner, D, Olsen, A.N, Skriver, K. | Deposit date: | 2012-02-22 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | DNA binding by the plant-specific NAC transcription factors in crystal and solution: a firm link to WRKY and GCM transcription factors. Biochem.J., 444, 2012
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4DHV
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![BU of 4dhv by Molmil](/molmil-images/mine/4dhv) | Crystal structure of the Pyrococcus furiosus ferredoxin D14C variant containing the heterometallic [AgFe3S4] cluster | Descriptor: | COBALT HEXAMMINE(III), Ferredoxin, SILVER/IRON/SULFUR CLUSTER | Authors: | Jakab-Simon, I.N, Christensen, H.E.M, Haahr, L.T. | Deposit date: | 2012-01-30 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Heterometallic [AgFe(3)S (4)] ferredoxin variants: synthesis, characterization, and the first crystal structure of an engineered heterometallic iron-sulfur protein. J.Biol.Inorg.Chem., 18, 2013
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4DTG
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![BU of 4dtg by Molmil](/molmil-images/mine/4dtg) | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
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4BU5
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![BU of 4bu5 by Molmil](/molmil-images/mine/4bu5) | Crystal structure of human tankyrase 2 in complex with 2-(4- hydroxyphenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-hydroxyphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BO6
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![BU of 4bo6 by Molmil](/molmil-images/mine/4bo6) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution | Descriptor: | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BP3
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![BU of 4bp3 by Molmil](/molmil-images/mine/4bp3) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ... | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2013-05-23 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design Acta Crystallogr.,Sect.D, 71, 2015
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4BNT
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![BU of 4bnt by Molmil](/molmil-images/mine/4bnt) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution | Descriptor: | 2-(trifluoromethyl)-1H-benzimidazole, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4EXB
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![BU of 4exb by Molmil](/molmil-images/mine/4exb) | |
4BU3
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![BU of 4bu3 by Molmil](/molmil-images/mine/4bu3) | Crystal structure of human tankyrase 2 in complex with 2-phenyl-3,4- dihydroquinazolin-4-one | Descriptor: | 2-phenyl-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BU6
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![BU of 4bu6 by Molmil](/molmil-images/mine/4bu6) | Crystal structure of human tankyrase 2 in complex with 2-(4- aminophenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUT
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![BU of 4but by Molmil](/molmil-images/mine/4but) | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-3,4- dihydroquinazolin-2-yl)benzene-1-sulfonamide | Descriptor: | 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUU
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![BU of 4buu by Molmil](/molmil-images/mine/4buu) | Crystal structure of human tankyrase 2 in complex with (4-(4-oxo-3,4- dihydroquinazolin-2-yl)phenyl)methanesulfonamide | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4CPQ
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![BU of 4cpq by Molmil](/molmil-images/mine/4cpq) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4CPT
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![BU of 4cpt by Molmil](/molmil-images/mine/4cpt) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
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4BUS
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![BU of 4bus by Molmil](/molmil-images/mine/4bus) | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | Descriptor: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BNZ
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![BU of 4bnz by Molmil](/molmil-images/mine/4bnz) | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution | Descriptor: | 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4C4C
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![BU of 4c4c by Molmil](/molmil-images/mine/4c4c) | Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | Authors: | Haddad-Momeni, M, Sandgren, M, Stahlberg, J. | Deposit date: | 2013-09-05 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies. J.Am.Chem.Soc., 136, 2014
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4BOB
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![BU of 4bob by Molmil](/molmil-images/mine/4bob) | Structure of Complement regulator-acquiring surface protein 3 (CRASP- 3, ErpP or BBN38) from Borrelia burgdorferi | Descriptor: | ERPP PROTEIN | Authors: | Brangulis, K, Petrovskis, I, Baumanis, V, Tars, K. | Deposit date: | 2013-05-18 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal Structures of the Erp Protein Family Members Erpp and Erpc from Borrelia Burgdorferi Reveal the Reason for Different Affinities for Complement Regulator Factor H. Biochim.Biophys.Acta, 1854, 2015
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4BG0
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![BU of 4bg0 by Molmil](/molmil-images/mine/4bg0) | Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi | Descriptor: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2 (CRASP-2) | Authors: | Brangulis, K, Petrovskis, I, Baumanis, V, Tars, K. | Deposit date: | 2013-03-22 | Release date: | 2014-04-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi. FEBS J., 281, 2014
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4C2S
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![BU of 4c2s by Molmil](/molmil-images/mine/4c2s) | |
7PDZ
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![BU of 7pdz by Molmil](/molmil-images/mine/7pdz) | Structure of capping protein bound to the barbed end of a cytoplasmic actin filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Funk, J, Merino, F, Schacks, M, Rottner, K, Raunser, S, Bieling, P. | Deposit date: | 2021-08-09 | Release date: | 2021-09-01 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A barbed end interference mechanism reveals how capping protein promotes nucleation in branched actin networks. Nat Commun, 12, 2021
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7PJY
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![BU of 7pjy by Molmil](/molmil-images/mine/7pjy) | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 1 (CHI1-EF-G-GDP) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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7PJX
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![BU of 7pjx by Molmil](/molmil-images/mine/7pjx) | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in hybrid state 1 (H1-EF-G-GDP) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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7PJZ
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![BU of 7pjz by Molmil](/molmil-images/mine/7pjz) | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 2 (CHI2-EF-G-GDP) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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