4QS6
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![BU of 4qs6 by Molmil](/molmil-images/mine/4qs6) | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Ligw2 Decarboxylase from Novosphingobium Aromaticivorans To be Published
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4QRN
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![BU of 4qrn by Molmil](/molmil-images/mine/4qrn) | HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-Carboxyvanillate Decarboxylase, ACETATE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-07-01 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans To be Published
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4HW1
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![BU of 4hw1 by Molmil](/molmil-images/mine/4hw1) | Multiple Crystal structures of an all-AT DNA dodecamer stabilized by weak interactions. | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'), MAGNESIUM ION | Authors: | Acosta-Reyes, F, Subirana, J.A, Pous, J, Condom, N, Malinina, L, Campos, J.L. | Deposit date: | 2012-11-07 | Release date: | 2013-11-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Polymorphic crystal structures of an all-AT DNA dodecamer. Biopolymers, 103, 2015
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1XT5
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![BU of 1xt5 by Molmil](/molmil-images/mine/1xt5) | Crystal Structure of VCBP3, domain 1, from Branchiostoma floridae | Descriptor: | SULFATE ION, variable region-containing chitin-binding protein 3 | Authors: | Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Allaire, M, Jakoncic, J, Stojanoff, V, Litman, G.W, Ostrov, D.A. | Deposit date: | 2004-10-21 | Release date: | 2005-10-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus. Nat.Immunol., 7, 2006
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4I5I
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![BU of 4i5i by Molmil](/molmil-images/mine/4i5i) | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | Deposit date: | 2012-11-28 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. J.Med.Chem., 56, 2013
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4HMK
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![BU of 4hmk by Molmil](/molmil-images/mine/4hmk) | Crystal structure of LeuT-E290S with bound Br | Descriptor: | BROMIDE ION, LEUCINE, SODIUM ION, ... | Authors: | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | Deposit date: | 2012-10-18 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The chloride binding site of Neurotransmitter Sodium Symporters Proc.Natl.Acad.Sci.USA, 2013
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4F72
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![BU of 4f72 by Molmil](/molmil-images/mine/4f72) | Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, asp12ala mutant, complex with magnesium and inorganic phosphate | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Patskovsky, Y, Farelli, J.D, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Zencheck, W.D, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088) To be Published
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4F16
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![BU of 4f16 by Molmil](/molmil-images/mine/4f16) | |
4EZF
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![BU of 4ezf by Molmil](/molmil-images/mine/4ezf) | The Crystal Structure of a Human MitoNEET mutant with an Ala inserted between Asp 67 and Lys 68 | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2012-05-02 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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4F71
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![BU of 4f71 by Molmil](/molmil-images/mine/4f71) | Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, complex with magnesium and inorganic phosphate | 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, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088) To be Published
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4QRO
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![BU of 4qro by Molmil](/molmil-images/mine/4qro) | CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL | Descriptor: | 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C. | Deposit date: | 2014-07-01 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL To be Published
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4HOD
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![BU of 4hod by Molmil](/molmil-images/mine/4hod) | Crystal structure of LeuT-E290S with bound Cl | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | Authors: | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | Deposit date: | 2012-10-22 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The chloride binding site of Neurotransmitter Sodium Symporters Proc.Natl.Acad.Sci.USA, 2013
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4I6K
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![BU of 4i6k by Molmil](/molmil-images/mine/4i6k) | Crystal structure of probable 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE ABAYE1769 (TARGET EFI-505029) from Acinetobacter baumannii with citric acid bound | Descriptor: | Amidohydrolase family protein, CITRIC ACID | 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, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-11-29 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.276 Å) | Cite: | CRYSTAL STRUCTURE OF PROBABLE 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE (TARGET EFI-505029) FROM Acinetobacter baumannii To be Published
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4HPN
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![BU of 4hpn by Molmil](/molmil-images/mine/4hpn) | Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium Tumefaciens, target EFI-500704, with bound Ca, ordered loops | Descriptor: | CALCIUM ION, IMIDAZOLE, NICKEL (II) ION, ... | Authors: | Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-10-24 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation. Acta Crystallogr F Struct Biol Commun, 72, 2016
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4HZ4
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![BU of 4hz4 by Molmil](/molmil-images/mine/4hz4) | Crystal structure of glutathione s-transferase b4xh91 (target efi-501787) from actinobacillus pleuropneumoniae | Descriptor: | GLYCEROL, Glutathione-S-transferase | 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, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-11-14 | Release date: | 2012-11-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of glutathione s-transferase b4xh91 from Actinobacillus pleuropneumoniae To be Published
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4HXB
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![BU of 4hxb by Molmil](/molmil-images/mine/4hxb) | Crystal structure of 6B9 FAB | Descriptor: | 6B9 FAB HEAVY CHAIN, 6B9 FAB LIGHT CHAIN, CALCIUM ION | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | Deposit date: | 2012-11-09 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes. Glycobiology, 23, 2013
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4I4C
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![BU of 4i4c by Molmil](/molmil-images/mine/4i4c) | Crystal structure of the protein frsA complexed with unknown ligand | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, HEXANOIC ACID, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Richards, N, Almo, S.C. | Deposit date: | 2012-11-27 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Computational, structural, and kinetic evidence that Vibrio vulnificus FrsA is not a cofactor-independent pyruvate decarboxylase. Biochemistry, 52, 2013
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4I6N
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![BU of 4i6n by Molmil](/molmil-images/mine/4i6n) | Crystal structure of Trichinella spiralis UCH37 catalytic domain bound to Ubiquitin vinyl methyl ester | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, METHYL 4-AMINOBUTANOATE, SODIUM ION, ... | Authors: | Morrow, M.E, Ronau, J.A, White, R.R, Artavanis-Tsakonas, K, Das, C. | Deposit date: | 2012-11-29 | Release date: | 2013-05-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Stabilization of an Unusual Salt Bridge in Ubiquitin by the Extra C-Terminal Domain of the Proteasome-Associated Deubiquitinase UCH37 as a Mechanism of Its Exo Specificity. Biochemistry, 52, 2013
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4HXA
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![BU of 4hxa by Molmil](/molmil-images/mine/4hxa) | Crystal structure of 13D9 FAB | Descriptor: | 13D9 FAB HEAVY CHAIN, 13D9 FAB LIGHT CHAIN | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | Deposit date: | 2012-11-09 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes. Glycobiology, 23, 2013
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1OHZ
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![BU of 1ohz by Molmil](/molmil-images/mine/1ohz) | Cohesin-Dockerin complex from the cellulosome of Clostridium thermocellum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ... | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | Deposit date: | 2003-06-04 | Release date: | 2003-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cellulosome Assembly Revealed by the Crystal Structure of the Cohesin-Dockerin Complex Proc.Natl.Acad.Sci.USA, 100, 2003
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4BQ0
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![BU of 4bq0 by Molmil](/molmil-images/mine/4bq0) | Pseudomonas aeruginosa beta-alanine:pyruvate aminotransferase holoenzyme without divalent cations on dimer-dimer interface | Descriptor: | BETA-ALANINE--PYRUVATE TRANSAMINASE, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Isupov, M.N, Lebedev, A.A, Westlake, A, Sayer, C, Littlechild, J.A. | Deposit date: | 2013-05-29 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Space-Group and Origin Ambiguity in Macromolecular Structures with Pseudo-Symmetry and its Treatment with the Program Zanuda. Acta Crystallogr.,Sect.D, 70, 2014
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1NU3
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![BU of 1nu3 by Molmil](/molmil-images/mine/1nu3) | Limonene-1,2-epoxide hydrolase in complex with valpromide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase | Authors: | Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L. | Deposit date: | 2003-01-30 | Release date: | 2003-06-10 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site EMBO J., 22, 2003
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2JGS
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![BU of 2jgs by Molmil](/molmil-images/mine/2jgs) | Circular permutant of avidin | Descriptor: | BIOTIN, CIRCULAR PERMUTANT OF AVIDIN | Authors: | Maatta, J.A.E, Hytonen, V.P, Airenne, T.T, Niskanen, E, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | Deposit date: | 2007-02-14 | Release date: | 2008-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Modification of Ligand-Binding Preference of Avidin by Circular Permutation and Mutagenesis. Chembiochem, 9, 2008
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2ING
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![BU of 2ing by Molmil](/molmil-images/mine/2ing) | X-ray Structure of the BRCA1 BRCT mutant M1775K | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | Authors: | Birrane, G, Soni, A, Ladias, J.A.A. | Deposit date: | 2006-10-07 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Pathogenicity of the BRCA1 missense variant M1775K is determined by the disruption of the BRCT phosphopeptide-binding pocket: a multi-modal approach. Eur.J.Hum.Genet., 16, 2008
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1QKL
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![BU of 1qkl by Molmil](/molmil-images/mine/1qkl) | hRPABC14.4, essential subunit of human RNA polymerases I, II and III | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 14.4 KD POLYPEPTIDE | Authors: | Del Rio-Portilla, F, Gaskell, A.G, Gilbert, D, Ladias, J.A.A, Wagner, G. | Deposit date: | 1999-07-26 | Release date: | 1999-11-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Hrpabc14.4 Subunit of Human RNA Polymerases Nat.Struct.Biol., 6, 1999
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