4GXW
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![BU of 4gxw by Molmil](/molmil-images/mine/4gxw) | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn | Descriptor: | Adenosine deaminase, CHLORIDE ION, ZINC ION | Authors: | Vetting, M.W, Goble, A.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-04 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn To be Published
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4HD0
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![BU of 4hd0 by Molmil](/molmil-images/mine/4hd0) | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair | Descriptor: | DNA double-strand break repair protein Mre11, MANGANESE (II) ION | Authors: | Limbo, O, Moiani, D, Kertokalio, A, Wyman, C, Tainer, J.A, Russell, P. | Deposit date: | 2012-10-01 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair. Nucleic Acids Res., 40, 2012
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4GU7
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![BU of 4gu7 by Molmil](/molmil-images/mine/4gu7) | Crystal structure of DyP-type peroxidase (SCO7193) from Streptomyces coelicolor | Descriptor: | NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein SCO7193 | Authors: | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | Deposit date: | 2012-08-29 | Release date: | 2013-09-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin. To be Published
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4FF9
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![BU of 4ff9 by Molmil](/molmil-images/mine/4ff9) | Crystal Structure of cysteinylated WT SOD1. | Descriptor: | COPPER (II) ION, CYSTEINE, Superoxide dismutase [Cu-Zn], ... | Authors: | Auclair, J.R, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Petsko, G.A, Agar, J.N. | Deposit date: | 2012-05-31 | Release date: | 2013-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5003 Å) | Cite: | Structural consequences of cysteinylation of cu/zn-superoxide dismutase. Biochemistry, 52, 2013
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4FKP
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![BU of 4fkp by Molmil](/molmil-images/mine/4fkp) | |
4FRB
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![BU of 4frb by Molmil](/molmil-images/mine/4frb) | Crystal Structure of ABBA+UDP+Gal at pH 8.0 with MPD as the cryoprotectant | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-06-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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4FI4
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![BU of 4fi4 by Molmil](/molmil-images/mine/4fi4) | Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31 | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-06-07 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Enolase Prk15072 (Target Efi-502214) from Caulobacter Sp. K31 To be Published
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4HCH
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![BU of 4hch by Molmil](/molmil-images/mine/4hch) | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-tartrate | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Isomerase/lactonizing enzyme, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-09-29 | Release date: | 2012-10-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-tartrate To be Published
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4GRF
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![BU of 4grf by Molmil](/molmil-images/mine/4grf) | Crystal structure of thioredoxin domain of thiol-disulfide oxidoreductase BVU-2223 (Target EFI-501010) from Bacteroides vulgatus | Descriptor: | CHLORIDE ION, GLUTATHIONE, Putative thiol-disulfide oxidoreductase, ... | Authors: | Patskovsky, Y, Sampathkumar, P, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Imker, H.J, Hammonds, J, Al-Obaidi, N.F, Stead, M, Love, J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-24 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of thioredoxin domain of thiol-disulfide oxidoreductase BVU-2223 from Bacteroides vulgatus To be Published
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4GS1
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![BU of 4gs1 by Molmil](/molmil-images/mine/4gs1) | Crystal structure of DyP-type peroxidase from Thermobifida cellulosilytica | Descriptor: | DyP-type peroxidase, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | Deposit date: | 2012-08-27 | Release date: | 2013-09-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin. To be Published
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3KSJ
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![BU of 3ksj by Molmil](/molmil-images/mine/3ksj) | |
4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DLM
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![BU of 4dlm by Molmil](/molmil-images/mine/4dlm) | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 | Descriptor: | Amidohydrolase 2, ZINC ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-06 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 to be published
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3KMV
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![BU of 3kmv by Molmil](/molmil-images/mine/3kmv) | Crystal structure of CBM42A from Clostridium thermocellum | Descriptor: | ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ... | Authors: | Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J. | Deposit date: | 2009-11-11 | Release date: | 2010-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities. Biochim.Biophys.Acta, 1804, 2010
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4DU9
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![BU of 4du9 by Molmil](/molmil-images/mine/4du9) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-02-21 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Pressure effects in proteins To be Published
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4EER
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![BU of 4eer by Molmil](/molmil-images/mine/4eer) | Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2012-03-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.753 Å) | Cite: | Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability. J.Biol.Chem., 287, 2012
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4EK8
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![BU of 4ek8 by Molmil](/molmil-images/mine/4ek8) | |
4ESM
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![BU of 4esm by Molmil](/molmil-images/mine/4esm) | Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum Y155A mutation | Descriptor: | COBALT (II) ION, Phenylalanine-4-hydroxylase | Authors: | Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C. | Deposit date: | 2012-04-23 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An additional substrate binding site in a bacterial phenylalanine hydroxylase. Eur.Biophys.J., 42, 2013
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3MM0
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![BU of 3mm0 by Molmil](/molmil-images/mine/3mm0) | Crystal structure of chimeric avidin | Descriptor: | Avidin, Avidin-related protein 4/5 | Authors: | Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R. | Deposit date: | 2010-04-19 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure. Biotechnol.Bioeng., 108, 2011
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4GYP
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![BU of 4gyp by Molmil](/molmil-images/mine/4gyp) | Crystal structure of the heterotetrameric complex of GlucD and GlucDRP from E. coli K-12 MG1655 (EFI TARGET EFI-506058) | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Lukk, T, Ghasempur, S, Imker, H.J, Gerlt, J.A, Nair, S.K, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-05 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glucarate dehydratase and its related protein from Escherichia coli form a heterotetrameric complex. to be published
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4H2H
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![BU of 4h2h by Molmil](/molmil-images/mine/4h2h) | Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine) | Descriptor: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate, (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ... | Authors: | Vetting, M.W, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-12 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of new enzymes and metabolic pathways by using structure and genome context. Nature, 502, 2013
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4HG7
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![BU of 4hg7 by Molmil](/molmil-images/mine/4hg7) | Crystal Structure of an MDM2/Nutlin-3a complex | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Noble, M.E.M, Anil, B, Riedinger, C, Endicott, J.A. | Deposit date: | 2012-10-07 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant. Acta Crystallogr.,Sect.D, 69, 2013
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4GVX
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![BU of 4gvx by Molmil](/molmil-images/mine/4gvx) | Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier protein] reductase, CHLORIDE ION, ... | Authors: | Vetting, M.W, Hobbs, M.E, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose To be Published
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4F8M
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![BU of 4f8m by Molmil](/molmil-images/mine/4f8m) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23I/I92V at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Nam, S.P, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-05-17 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pressure effects in proteins To be Published
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