3UWI
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![BU of 3uwi by Molmil](/molmil-images/mine/3uwi) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-12-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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4OYS
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![BU of 4oys by Molmil](/molmil-images/mine/4oys) | CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405. | 分子名称: | (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3, SULFATE ION | 著者 | Mathieu, M, Marquette, J.p. | 登録日 | 2014-02-13 | 公開日 | 2014-10-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy. Nat.Chem.Biol., 10, 2014
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3UMK
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![BU of 3umk by Molmil](/molmil-images/mine/3umk) | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with copper | 分子名称: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION, ... | 著者 | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | 登録日 | 2011-11-13 | 公開日 | 2012-01-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. J.Mol.Biol., 416, 2012
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3UWO
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![BU of 3uwo by Molmil](/molmil-images/mine/3uwo) | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | 分子名称: | 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase | 著者 | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | 登録日 | 2011-12-02 | 公開日 | 2012-02-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
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3UWZ
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![BU of 3uwz by Molmil](/molmil-images/mine/3uwz) | Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate | 分子名称: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, Triosephosphate isomerase | 著者 | Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K. | 登録日 | 2011-12-03 | 公開日 | 2012-10-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop Biochimie, 94, 2012
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4OZ0
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4ODP
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![BU of 4odp by Molmil](/molmil-images/mine/4odp) | Structure of SlyD delta-IF from Thermus thermophilus in complex with S2-W23A peptide | 分子名称: | 30S ribosomal protein S2, CALCIUM ION, CHLORIDE ION, ... | 著者 | Quistgaard, E.M, Low, C, Nordlund, P. | 登録日 | 2014-01-10 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.747 Å) | 主引用文献 | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD. BMC Biol., 14, 2016
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4G5R
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![BU of 4g5r by Molmil](/molmil-images/mine/4g5r) | Structure of LGN GL4/Galphai3 complex | 分子名称: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | 登録日 | 2012-07-18 | 公開日 | 2012-09-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.481 Å) | 主引用文献 | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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4OZE
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![BU of 4oze by Molmil](/molmil-images/mine/4oze) | A.aolicus LpxC in complex with native product | 分子名称: | CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ... | 著者 | Olivier, N.B. | 登録日 | 2014-02-15 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Mechanistic insight from the crystal structure of A.aolicus LpxC in the presence of product To Be Published
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3UN4
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![BU of 3un4 by Molmil](/molmil-images/mine/3un4) | Yeast 20S proteasome in complex with PR-957 (morpholine) | 分子名称: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ... | 著者 | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | 登録日 | 2011-11-15 | 公開日 | 2012-02-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
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3UXL
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4OZT
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![BU of 4ozt by Molmil](/molmil-images/mine/4ozt) | crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (PonA crystal) | 分子名称: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, N-ETHYLMALEIMIDE, ... | 著者 | Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J. | 登録日 | 2014-02-19 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits. Acta Crystallogr.,Sect.D, 70, 2014
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3UPE
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![BU of 3upe by Molmil](/molmil-images/mine/3upe) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-18 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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2QST
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4OF3
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![BU of 4of3 by Molmil](/molmil-images/mine/4of3) | Crystal Structure of SYG-1 D1-D2, Glycosylated | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Protein SYG-1, isoform b, ... | 著者 | Ozkan, E, Garcia, K.C. | 登録日 | 2014-01-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.), 156, 2014
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4OFT
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![BU of 4oft by Molmil](/molmil-images/mine/4oft) | C- Orthorombic NaGST1 | 分子名称: | Glutathione S-transferase-1 | 著者 | Asojo, O.A. | 登録日 | 2014-01-15 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of glutathione S-transferase 1 from the major human hookworm parasite Necator americanus (Na-GST-1) in complex with glutathione. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4OZZ
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3UPJ
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3V09
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![BU of 3v09 by Molmil](/molmil-images/mine/3v09) | Crystal structure of Rabbit Serum Albumin | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2011-12-07 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structural and immunologic characterization of bovine, horse, and rabbit serum albumins. Mol.Immunol., 52, 2012
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4OG4
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![BU of 4og4 by Molmil](/molmil-images/mine/4og4) | Human menin with bound inhibitor MIV-3S | 分子名称: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | 登録日 | 2014-01-15 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4P0A
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![BU of 4p0a by Molmil](/molmil-images/mine/4p0a) | Crystal structure of HOIP PUB domain in complex with p97 PIM | 分子名称: | E3 ubiquitin-protein ligase RNF31, Transitional endoplasmic reticulum ATPase | 著者 | Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. | 登録日 | 2014-02-20 | 公開日 | 2014-05-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3001 Å) | 主引用文献 | Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling. Mol.Cell, 54, 2014
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3UPP
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4P0K
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4OGS
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3UD6
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![BU of 3ud6 by Molmil](/molmil-images/mine/3ud6) | Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design | 分子名称: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION | 著者 | Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. | 登録日 | 2011-10-27 | 公開日 | 2011-11-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.091 Å) | 主引用文献 | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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