8BWU
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![BU of 8bwu by Molmil](/molmil-images/mine/8bwu) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
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1OT4
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![BU of 1ot4 by Molmil](/molmil-images/mine/1ot4) | Solution structure of Cu(II)-CopC from Pseudomonas syringae | Descriptor: | COPPER (II) ION, Copper resistance protein C | Authors: | Arnesano, F, Banci, L, Bertini, I, Felli, I.C, Luchinat, C, Thompsett, A.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-03-21 | Release date: | 2003-07-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A Strategy for the NMR Characterization of Type II Copper(II) Proteins:
the Case of the Copper Trafficking Protein CopC from Pseudomonas Syringae. J.Am.Chem.Soc., 125, 2003
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1OW5
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![BU of 1ow5 by Molmil](/molmil-images/mine/1ow5) | |
6ROA
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![BU of 6roa by Molmil](/molmil-images/mine/6roa) | Crystal structure of V57G mutant of human cystatin C | Descriptor: | Cystatin-C | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | Deposit date: | 2019-05-10 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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6S5V
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![BU of 6s5v by Molmil](/molmil-images/mine/6s5v) | Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue | Descriptor: | (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, POTASSIUM ION, ... | Authors: | Keown, J.R, Fodor, E, Grimes, J.M. | Deposit date: | 2019-07-02 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region. J.Med.Chem., 62, 2019
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8C3T
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![BU of 8c3t by Molmil](/molmil-images/mine/8c3t) | |
1PDX
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![BU of 1pdx by Molmil](/molmil-images/mine/1pdx) | PUTIDAREDOXIN | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | Deposit date: | 1999-02-15 | Release date: | 1999-05-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A refined model for the solution structure of oxidized putidaredoxin. Biochemistry, 38, 1999
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6RPV
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![BU of 6rpv by Molmil](/molmil-images/mine/6rpv) | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | Descriptor: | Cystatin-C | Authors: | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | Deposit date: | 2019-05-14 | Release date: | 2019-07-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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8CGA
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![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | Deposit date: | 2023-02-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
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6MVG
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1R51
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![BU of 1r51 by Molmil](/molmil-images/mine/1r51) | URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 8-AZAXANTHIN | Descriptor: | 8-AZAXANTHINE, CYSTEINE, Uricase | Authors: | Prange, T, Retailleau, P, Colloc'h, N. | Deposit date: | 2003-10-09 | Release date: | 2004-03-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode. Acta Crystallogr.,Sect.D, 60, 2004
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6N5U
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![BU of 6n5u by Molmil](/molmil-images/mine/6n5u) | Crystal structure of Arabidopsis thaliana ScoI with copper bound | Descriptor: | COPPER (I) ION, Protein SCO1 homolog 1, mitochondrial | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | Deposit date: | 2018-11-22 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Arabidopsis thaliana Hcc1 is a Sco-like metallochaperone for CuAassembly in Cytochrome c Oxidase. Febs J., 287, 2020
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4PCL
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![BU of 4pcl by Molmil](/molmil-images/mine/4pcl) | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion. | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | Authors: | Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-04-15 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum. Plos Pathog., 11, 2015
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8HWO
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![BU of 8hwo by Molmil](/molmil-images/mine/8hwo) | |
4PCA
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![BU of 4pca by Molmil](/molmil-images/mine/4pca) | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | Authors: | Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-04-14 | Release date: | 2014-06-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum. Plos Pathog., 11, 2015
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1MZT
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![BU of 1mzt by Molmil](/molmil-images/mine/1mzt) | |
6NKQ
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![BU of 6nkq by Molmil](/molmil-images/mine/6nkq) | |
6NEE
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![BU of 6nee by Molmil](/molmil-images/mine/6nee) | |
6S0M
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6GKF
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![BU of 6gkf by Molmil](/molmil-images/mine/6gkf) | |
2PLQ
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![BU of 2plq by Molmil](/molmil-images/mine/2plq) | Crystal structure of the amidase from geobacillus pallidus RAPc8 | Descriptor: | Aliphatic amidase | Authors: | Kimani, S.W, Sewell, B.T, Agarkar, V.B, Sayed, M.F, Cowan, D.A. | Deposit date: | 2007-04-20 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The quaternary structure of the amidase from Geobacillus pallidus RAPc8 is
revealed by its crystal packing. Acta Crystallogr.,Sect.F, 62, 2006
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2XLL
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![BU of 2xll by Molmil](/molmil-images/mine/2xll) | The crystal structure of bilirubin oxidase from Myrothecium verrucaria | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION | Authors: | McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F. | Deposit date: | 2010-07-21 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction. Dalton Trans, 40, 2011
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8TIR
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![BU of 8tir by Molmil](/molmil-images/mine/8tir) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and co-crystals. To Be Published
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8TIX
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![BU of 8tix by Molmil](/molmil-images/mine/8tix) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and co-crystals. To Be Published
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8TIU
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![BU of 8tiu by Molmil](/molmil-images/mine/8tiu) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates. | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and co-crystals. To Be Published
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