5EZX
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![BU of 5ezx by Molmil](/molmil-images/mine/5ezx) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5F01
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![BU of 5f01 by Molmil](/molmil-images/mine/5f01) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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6EUU
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![BU of 6euu by Molmil](/molmil-images/mine/6euu) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | 分子名称: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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1UFN
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![BU of 1ufn by Molmil](/molmil-images/mine/1ufn) | Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) | 分子名称: | putative nuclear protein homolog 5830484A20Rik | 著者 | Tochio, N, Kobayashi, N, Koshiba, S, Kigawa, T, Inoue, M, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2003-06-02 | 公開日 | 2004-06-22 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) To be Published
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6EWM
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![BU of 6ewm by Molmil](/molmil-images/mine/6ewm) | Crystal structure of heme free PORPHYROMONAS GINGIVALIS HEME-BINDING PROTEIN HMUY | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Haemophore HmuY, ... | 著者 | Antonyuk, S.V, Strange, R.W, Bielecki, M, Olczak, T, Olczak, M. | 登録日 | 2017-11-05 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Tannerella forsythiaTfo belongs toPorphyromonas gingivalisHmuY-like family of proteins but differs in heme-binding properties. Biosci. Rep., 38, 2018
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8FT8
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![BU of 8ft8 by Molmil](/molmil-images/mine/8ft8) | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation | 分子名称: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | 著者 | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | 登録日 | 2023-01-11 | 公開日 | 2023-03-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits. Acta Crystallogr D Struct Biol, 79, 2023
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6EV0
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![BU of 6ev0 by Molmil](/molmil-images/mine/6ev0) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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5IPI
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![BU of 5ipi by Molmil](/molmil-images/mine/5ipi) | Structure of Adeno-associated virus type 2 VLP | 分子名称: | Capsid protein VP1 | 著者 | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | 登録日 | 2016-03-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging. J.Virol., 90, 2016
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6SAH
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![BU of 6sah by Molmil](/molmil-images/mine/6sah) | Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11) | 分子名称: | Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-16 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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1TOR
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![BU of 1tor by Molmil](/molmil-images/mine/1tor) | MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR MIR DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR ANALOGUE | 分子名称: | ACETYLCHOLINE RECEPTOR, MAIN IMMUNOGENIC REGION | 著者 | Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T. | 登録日 | 1995-10-11 | 公開日 | 1996-03-08 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Biopolymers, 40, 1996
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6OZ2
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1AOY
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6S9T
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![BU of 6s9t by Molmil](/molmil-images/mine/6s9t) | Dimerization domain of Xenopus laevis LDB1 in complex with darpin 3 | 分子名称: | Darpin 3, LIM domain-binding protein 1, TETRAETHYLENE GLYCOL | 著者 | Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M. | 登録日 | 2019-07-15 | 公開日 | 2019-10-09 | 最終更新日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome. Proc.Natl.Acad.Sci.USA, 116, 2019
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6SA3
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![BU of 6sa3 by Molmil](/molmil-images/mine/6sa3) | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | 分子名称: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-16 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6UWZ
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![BU of 6uwz by Molmil](/molmil-images/mine/6uwz) | Cryo-EM structure of Torpedo acetylcholine receptor in complex with alpha-bungarotoxin | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | 著者 | Rahman, M.M, Teng, J, Worrell, B.T, Noveillo, C.M, Lee, M, Karlin, A, Stowell, M, Hibbs, R.E. | 登録日 | 2019-11-06 | 公開日 | 2020-04-15 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | 主引用文献 | Structure of the Native Muscle-type Nicotinic Receptor and Inhibition by Snake Venom Toxins. Neuron, 106, 2020
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6F23
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![BU of 6f23 by Molmil](/molmil-images/mine/6f23) | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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5B4F
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![BU of 5b4f by Molmil](/molmil-images/mine/5b4f) | Sulfur Transferase TtuA in complex with iron sulfur cluster | 分子名称: | IRON/SULFUR CLUSTER, SULFATE ION, Sulfur Transferase TtuA, ... | 著者 | Chen, M, Narai, S, Tanaka, Y, Yao, M. | 登録日 | 2016-04-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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9GII
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![BU of 9gii by Molmil](/molmil-images/mine/9gii) | Jumonji domain-containing protein 2A with crystallization epitope mutation R913A | 分子名称: | GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2024-08-19 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To be published
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6JLP
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![BU of 6jlp by Molmil](/molmil-images/mine/6jlp) | XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Suga, M, Shen, J.R. | 登録日 | 2019-03-06 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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8FT6
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![BU of 8ft6 by Molmil](/molmil-images/mine/8ft6) | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Ala-Ala linker variant, SUMO tag-free preparation. | 分子名称: | CITRIC ACID, IODIDE ION, SULFATE ION, ... | 著者 | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | 登録日 | 2023-01-11 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits. Acta Crystallogr D Struct Biol, 79, 2023
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6AZ1
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![BU of 6az1 by Molmil](/molmil-images/mine/6az1) | Cryo-EM structure of the small subunit of Leishmania ribosome bound to paromomycin | 分子名称: | E-site tRNA, LACK1, MAGNESIUM ION, ... | 著者 | Shalev-Benami, M, Zhang, Y, Rozenberg, H, Matzov, D, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G. | 登録日 | 2017-09-09 | 公開日 | 2017-12-06 | 最終更新日 | 2019-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin. Nat Commun, 8, 2017
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5B71
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![BU of 5b71 by Molmil](/molmil-images/mine/5b71) | Crystal structure of complement C5 in complex with SKY59 | 分子名称: | Complement C5 beta chain, SKY59 Fab heavy chain, SKY59 Fab light chain | 著者 | Irie, M, Shimizu, Y, Sampei, Z, Fukuzawa, T. | 登録日 | 2016-06-03 | 公開日 | 2017-05-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Long lasting neutralization of C5 by SKY59, a novel recycling antibody, is a potential therapy for complement-mediated diseases. Sci Rep, 7, 2017
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7Q4H
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7Q4J
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5IQ6
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![BU of 5iq6 by Molmil](/molmil-images/mine/5iq6) | Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor | 分子名称: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION | 著者 | Tarantino, D, Mastrangelo, E, Milani, M. | 登録日 | 2016-03-10 | 公開日 | 2016-10-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor. Antiviral Res., 134, 2016
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