5EAO
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6EX7
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![BU of 6ex7 by Molmil](/molmil-images/mine/6ex7) | Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | 著者 | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | 登録日 | 2017-11-07 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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4C94
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![BU of 4c94 by Molmil](/molmil-images/mine/4c94) | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | 登録日 | 2013-10-02 | 公開日 | 2013-10-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates. J.Biol.Chem., 288, 2013
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6DWW
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![BU of 6dww by Molmil](/molmil-images/mine/6dww) | Hermes transposase deletion dimer complex with (A/T) DNA and Mn2+ | 分子名称: | DNA (25-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), ... | 著者 | Dyda, F, Voth, A.R, Hickman, A.B. | 登録日 | 2018-06-28 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | 主引用文献 | Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase. Nucleic Acids Res., 46, 2018
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7KU0
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![BU of 7ku0 by Molmil](/molmil-images/mine/7ku0) | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | 分子名称: | Chymotrypsinogen A, SULFATE ION | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | 登録日 | 2020-11-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
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![BU of 7ku2 by Molmil](/molmil-images/mine/7ku2) | Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | 分子名称: | Chymotrypsinogen A, SULFATE ION | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | 登録日 | 2020-11-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.185 Å) | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
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![BU of 7ku3 by Molmil](/molmil-images/mine/7ku3) | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | 分子名称: | Chymotrypsinogen A, SULFATE ION | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | 登録日 | 2020-11-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
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![BU of 7ktz by Molmil](/molmil-images/mine/7ktz) | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | 分子名称: | Chymotrypsinogen A, SULFATE ION | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | 登録日 | 2020-11-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTY
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![BU of 7kty by Molmil](/molmil-images/mine/7kty) | Data clustering and dynamics of chymotrypsinogen average structure | 分子名称: | Chymotrypsinogen A, SULFATE ION | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | 登録日 | 2020-11-24 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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4B7F
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![BU of 4b7f by Molmil](/molmil-images/mine/4b7f) | Structure of a liganded bacterial catalase | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Gumiero, A, Walsh, M. | 登録日 | 2012-08-20 | 公開日 | 2013-08-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Structural and Dynamic Investigation of the Inhibition of Catalase by Nitric Oxide. Org.Biomol.Chem., 11, 2013
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1ARL
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![BU of 1arl by Molmil](/molmil-images/mine/1arl) | CARBOXYPEPTIDASE A WITH ZN REMOVED | 分子名称: | APO-CARBOXYPEPTIDASE A=ALPHA= (COX) | 著者 | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | 登録日 | 1994-11-22 | 公開日 | 1996-08-01 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms. Acta Crystallogr.,Sect.D, 54, 1998
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1C0C
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5ONE
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![BU of 5one by Molmil](/molmil-images/mine/5one) | Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2) | 分子名称: | 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide, Aurora kinase A | 著者 | Chaikuad, A, Ferguson, F.M, Gray, N.S, Knapp, S. | 登録日 | 2017-08-03 | 公開日 | 2017-09-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Characterization of a highly selective inhibitor of the Aurora kinases. Bioorg. Med. Chem. Lett., 27, 2017
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6S25
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![BU of 6s25 by Molmil](/molmil-images/mine/6s25) | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | 著者 | Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-20 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand To Be Published
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7W30
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![BU of 7w30 by Molmil](/molmil-images/mine/7w30) | Tudor domain of SMN in complex with a small molecule | 分子名称: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | 著者 | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | 登録日 | 2021-11-24 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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6EIT
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4Z3S
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![BU of 4z3s by Molmil](/molmil-images/mine/4z3s) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ... | 著者 | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | 登録日 | 2015-03-31 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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5G52
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![BU of 5g52 by Molmil](/molmil-images/mine/5g52) | Crystallographic structure of full particle of Deformed Wing Virus | 分子名称: | URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ... | 著者 | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | 登録日 | 2016-05-18 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.802 Å) | 主引用文献 | Structure of deformed wing virus, a major honey bee pathogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7W3E
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![BU of 7w3e by Molmil](/molmil-images/mine/7w3e) | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Tsukihara, T, Shimada, A. | 登録日 | 2021-11-25 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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6CPE
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![BU of 6cpe by Molmil](/molmil-images/mine/6cpe) | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | 著者 | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | 登録日 | 2018-03-13 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
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7TRH
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8U6X
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![BU of 8u6x by Molmil](/molmil-images/mine/8u6x) | ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | 著者 | Williamson, A, Pan, J. | 登録日 | 2023-09-14 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation. Bmc Microbiol., 24, 2024
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5CNA
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![BU of 5cna by Molmil](/molmil-images/mine/5cna) | REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE | 分子名称: | CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ... | 著者 | Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J. | 登録日 | 1994-02-11 | 公開日 | 1994-05-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure. Acta Crystallogr.,Sect.D, 50, 1994
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8A12
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![BU of 8a12 by Molmil](/molmil-images/mine/8a12) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | 登録日 | 2022-05-31 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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1BIN
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![BU of 1bin by Molmil](/molmil-images/mine/1bin) | LEGHEMOGLOBIN A (ACETOMET) | 分子名称: | ACETATE ION, LEGHEMOGLOBIN A, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Brucker, E.A, Hargrove, M.S, Phillips Jr, G.N. | 登録日 | 1996-08-23 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Characterization of recombinant soybean leghemoglobin a and apolar distal histidine mutants. J.Mol.Biol., 266, 1997
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