5RDR
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![BU of 5rdr by Molmil](/molmil-images/mine/5rdr) | PanDDA analysis group deposition -- Endothiapepsin ground state model 48 | 分子名称: | Endothiapepsin | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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6GJU
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![BU of 6gju by Molmil](/molmil-images/mine/6gju) | human NBD1 of CFTR in complex with nanobodies T2a and T4 | 分子名称: | Cystic fibrosis transmembrane conductance regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | 登録日 | 2018-05-17 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun, 10, 2019
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5RCW
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![BU of 5rcw by Molmil](/molmil-images/mine/5rcw) | PanDDA analysis group deposition -- Endothiapepsin ground state model 18 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDG
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![BU of 5rdg by Molmil](/molmil-images/mine/5rdg) | PanDDA analysis group deposition -- Endothiapepsin ground state model 38 | 分子名称: | Endothiapepsin | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDW
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![BU of 5rdw by Molmil](/molmil-images/mine/5rdw) | PanDDA analysis group deposition -- Endothiapepsin ground state model 53 | 分子名称: | Endothiapepsin | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5LO6
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![BU of 5lo6 by Molmil](/molmil-images/mine/5lo6) | HSP90 WITH indazole derivative | 分子名称: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | 著者 | Graedler, U, Amaral, M. | 登録日 | 2016-08-08 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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5LVW
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![BU of 5lvw by Molmil](/molmil-images/mine/5lvw) | XiaF (FADH2) from Streptomyces sp. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, SULFATE ION, ... | 著者 | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | 登録日 | 2016-09-14 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification. Nat Commun, 8, 2017
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6W7D
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![BU of 6w7d by Molmil](/molmil-images/mine/6w7d) | K2P2.1 (TREK-1), 10 mM K+ | 分子名称: | CADMIUM ION, DODECANE, HEXADECANE, ... | 著者 | Lolicato, M, Minor, D.L. | 登録日 | 2020-03-19 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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2UZ9
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![BU of 2uz9 by Molmil](/molmil-images/mine/2uz9) | Human guanine deaminase (guaD) in complex with zinc and its product Xanthine. | 分子名称: | GUANINE DEAMINASE, XANTHINE, ZINC ION | 著者 | Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2007-04-26 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine To be Published
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2V40
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![BU of 2v40 by Molmil](/molmil-images/mine/2v40) | Human Adenylosuccinate synthetase isozyme 2 in complex with GDP | 分子名称: | ADENYLOSUCCINATE SYNTHETASE ISOZYME 2, GUANOSINE-5'-DIPHOSPHATE | 著者 | Welin, M, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2007-06-27 | 公開日 | 2007-07-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Human Adenylosuccinate Synthetase Isozyme 2 in Complex with Gdp To be Published
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2V4H
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![BU of 2v4h by Molmil](/molmil-images/mine/2v4h) | NEMO CC2-LZ domain - 1D5 DARPin complex | 分子名称: | 1D5 DARPIN, NF-KAPPA-B ESSENTIAL MODULATOR | 著者 | Grubisha, O, Duquerroy, S, Cordier, F, Haouz, A, Delepierre, M, Veron, M, Agou, F. | 登録日 | 2008-09-22 | 公開日 | 2009-11-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Darpin-Assisted Crystallography of the Cc2-Lz Domain of Nemo Reveals a Coupling between Dimerization and Ubiquitin-Binding. J.Mol.Biol., 395, 2010
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6GDZ
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![BU of 6gdz by Molmil](/molmil-images/mine/6gdz) | exendin-4 based dual GLP-1/glucagon receptor agonist | 分子名称: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | 著者 | Evers, A, Kurz, M. | 登録日 | 2018-04-25 | 公開日 | 2018-06-20 | 最終更新日 | 2019-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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7R58
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![BU of 7r58 by Molmil](/molmil-images/mine/7r58) | Crystal structure of the GPVI-glenzocimab complex | 分子名称: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | 著者 | Jandrot-Perrus, M, Lebozec, K, Rose, N, Welin, M, Billiald, P. | 登録日 | 2022-02-10 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Targeting platelet GPVI with glenzocimab: a novel mechanism for inhibition. Blood Adv, 7, 2023
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6DDJ
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![BU of 6ddj by Molmil](/molmil-images/mine/6ddj) | Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2 | 著者 | White, S.W, Yun, M. | 登録日 | 2018-05-10 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
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5E27
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![BU of 5e27 by Molmil](/molmil-images/mine/5e27) | The structure of Resuscitation Promoting Factor B from M. tuberculosis reveals unexpected ubiquitin-like domains | 分子名称: | Resuscitation-promoting factor RpfB | 著者 | Ruggiero, A, Squeglia, F, Romano, M, Vitagliano, L, De Simone, A, Berisio, R. | 登録日 | 2015-09-30 | 公開日 | 2015-11-18 | 最終更新日 | 2015-12-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains. Biochim.Biophys.Acta, 1860, 2015
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2V30
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![BU of 2v30 by Molmil](/molmil-images/mine/2v30) | Human orotidine 5'-phosphate decarboxylase domain of uridine monophospate synthetase (UMPS) in complex with its product UMP. | 分子名称: | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE | 著者 | Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2007-06-10 | 公開日 | 2007-07-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Crystal Structure of Human Orotidine 5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps) To be Published
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6G8X
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![BU of 6g8x by Molmil](/molmil-images/mine/6g8x) | |
5LH3
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![BU of 5lh3 by Molmil](/molmil-images/mine/5lh3) | High dose Thaumatin - 0-40 ms. | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | 登録日 | 2016-07-08 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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1G96
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![BU of 1g96 by Molmil](/molmil-images/mine/1g96) | HUMAN CYSTATIN C; DIMERIC FORM WITH 3D DOMAIN SWAPPING | 分子名称: | CHLORIDE ION, CYSTATIN C, GLYCEROL | 著者 | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Grubb, A, Abrahamson, M, Jaskolski, M. | 登録日 | 2000-11-22 | 公開日 | 2001-04-06 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Human cystatin C, an amyloidogenic protein, dimerizes through three-dimensional domain swapping. Nat.Struct.Biol., 8, 2001
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5GVQ
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![BU of 5gvq by Molmil](/molmil-images/mine/5gvq) | Solution structure of the first RRM domain of human spliceosomal protein SF3b49 | 分子名称: | Splicing factor 3B subunit 4 | 著者 | Kuwasako, K, Nameki, N, Tsuda, K, Takahashi, M, Sato, A, Tochio, N, Inoue, M, Terada, T, Kigawa, T, Kobayashi, N, Shirouzu, M, Ito, T, Sakamoto, T, Wakamatsu, K, Guntert, P, Takahashi, S, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2016-09-06 | 公開日 | 2017-04-12 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment. Protein Sci., 26, 2017
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5SU5
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![BU of 5su5 by Molmil](/molmil-images/mine/5su5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E05 from the F2X-Universal Library | 分子名称: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2022-11-30 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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6RUP
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![BU of 6rup by Molmil](/molmil-images/mine/6rup) | Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence | 分子名称: | MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ... | 著者 | Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M. | 登録日 | 2019-05-28 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy. J.Clin.Invest., 130, 2020
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6RWT
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![BU of 6rwt by Molmil](/molmil-images/mine/6rwt) | Crystal structure of the Cbp3 homolog from Brucella abortus | 分子名称: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | 著者 | Masuyer, G, Ndi, M, Ott, M, Stenmark, P. | 登録日 | 2019-06-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structural basis for the interaction of the chaperone Cbp3 with newly synthesized cytochromebduring mitochondrial respiratory chain assembly. J.Biol.Chem., 294, 2019
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6H6O
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![BU of 6h6o by Molmil](/molmil-images/mine/6h6o) | UbiJ-SCP2 Ubiquinone synthesis protein | 分子名称: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fyfe, C.D, Legrand, P, Pecqueur, L, Ciccone, L, Lombard, M, Fontecave, M. | 登録日 | 2018-07-28 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone. Cell Chem Biol, 26, 2019
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2Q10
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![BU of 2q10 by Molmil](/molmil-images/mine/2q10) | RESTRICTION ENDONUCLEASE BcnI (WILD TYPE)-COGNATE DNA SUBSTRATE COMPLEX | 分子名称: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*CP*CP*GP*GP*AP*GP*AP*C)-3'), ... | 著者 | Sokolowska, M, Kaus-Drobek, M, Czapinska, H, Tamulaitis, G, Szczepanowski, R.H, Urbanke, C, Siksnys, V, Bochtler, M. | 登録日 | 2007-05-23 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Monomeric Restriction Endonuclease BcnI in the Apo Form and in an Asymmetric Complex with Target DNA. J.Mol.Biol., 369, 2007
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