2ASR
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2AI5
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![BU of 2ai5 by Molmil](/molmil-images/mine/2ai5) | Solution Structure of Cytochrome C552, determined by Distributed Computing Implementation for NMR data | 分子名称: | Cytochrome c-552, HEME C | 著者 | Nakamura, S, Ichiki, S.I, Takashima, H, Uchiyama, S, Hasegawa, J, Kobayashi, Y, Sambongi, Y, Ohkubo, T. | 登録日 | 2005-07-29 | 公開日 | 2006-05-23 | 最終更新日 | 2022-03-09 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of Cytochrome c552 from a Moderate Thermophilic Bacterium, Hydrogenophilus thermoluteolus: Comparative Study on the Thermostability of Cytochrome c Biochemistry, 45, 2006
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4CAY
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![BU of 4cay by Molmil](/molmil-images/mine/4cay) | Crystal structure of a human Anp32e-H2A.Z-H2B complex | 分子名称: | ACIDIC LEUCINE-RICH NUCLEAR PHOSPHOPROTEIN 32 FAMILY MEMBER E, HISTONE H2A.Z, HISTONE H2B TYPE 1-J | 著者 | Obri, A, Ouararhni, K, Papin, C, Diebold, M.-L, Padmanabhan, K, Marek, M, Stoll, I, Roy, L, Reilly, P.T, Mak, T.W, Dimitrov, S, Romier, C, Hamiche, A. | 登録日 | 2013-10-09 | 公開日 | 2014-01-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Anp32E is a Histone Chaperone that Removes H2A.Z from Chromatin Nature, 648, 2014
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4K7B
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![BU of 4k7b by Molmil](/molmil-images/mine/4k7b) | Crystal structure of Extrinsic protein in photosystem II | 分子名称: | Extrinsic protein in photosystem II, GLYCEROL, SULFATE ION | 著者 | Nagao, R, Suga, M, Niikura, A, Okumura, A, Koua, F.H.M, Suzuki, T, Tomo, T, Enami, I, Shen, J.R. | 登録日 | 2013-04-16 | 公開日 | 2013-09-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal Structure of Psb31, a Novel Extrinsic Protein of Photosystem II from a Marine Centric Diatom and Implications for Its Binding and Function Biochemistry, 52, 2013
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4CFM
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![BU of 4cfm by Molmil](/molmil-images/mine/4cfm) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | 分子名称: | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | 著者 | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | 登録日 | 2013-11-18 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4CBE
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![BU of 4cbe by Molmil](/molmil-images/mine/4cbe) | Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi (Native) | 分子名称: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2) | 著者 | Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Tars, K. | 登録日 | 2013-10-13 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi. FEBS J., 281, 2014
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4KE7
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![BU of 4ke7 by Molmil](/molmil-images/mine/4ke7) | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-myristoyl glycerol analogue | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase, dodecyl hydrogen (S)-(3-azidopropyl)phosphonate | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | 登録日 | 2013-04-25 | 公開日 | 2013-09-18 | 最終更新日 | 2013-11-20 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J.Biol.Chem., 288, 2013
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4KIV
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4CK8
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![BU of 4ck8 by Molmil](/molmil-images/mine/4ck8) | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD) | 分子名称: | (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | 著者 | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | 登録日 | 2013-12-30 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition. J.Med.Chem., 57, 2014
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4CFY
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![BU of 4cfy by Molmil](/molmil-images/mine/4cfy) | SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS | 分子名称: | CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE | 著者 | Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P. | 登録日 | 2013-11-19 | 公開日 | 2014-04-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool. Acta Crystallogr.,Sect.D, 70, 2014
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4CHL
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![BU of 4chl by Molmil](/molmil-images/mine/4chl) | Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | 分子名称: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | 著者 | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-12-03 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy. Hum. Mol. Genet., 24, 2015
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3W0I
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![BU of 3w0i by Molmil](/molmil-images/mine/3w0i) | Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | 分子名称: | (2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor | 著者 | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | 登録日 | 2012-10-30 | 公開日 | 2013-10-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands. Febs Lett., 587, 2013
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4CK9
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![BU of 4ck9 by Molmil](/molmil-images/mine/4ck9) | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT) | 分子名称: | (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | 著者 | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | 登録日 | 2013-12-31 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition. J.Med.Chem., 57, 2014
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4KQI
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![BU of 4kqi by Molmil](/molmil-images/mine/4kqi) | Crystal structure of CobT E317A complexed with its reaction products | 分子名称: | 1,2-ETHANEDIOL, ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINIC ACID, ... | 著者 | Chan, C.H, Newmister, S.A, Taylor, K.C, Claas, K.R, Rayment, I, Escalante-Semerena, J.C. | 登録日 | 2013-05-15 | 公開日 | 2014-03-12 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Dissecting cobamide diversity through structural and functional analyses of the base-activating CobT enzyme of Salmonella enterica. Biochim.Biophys.Acta, 1840, 2014
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4CXI
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![BU of 4cxi by Molmil](/molmil-images/mine/4cxi) | BTB domain of KEAP1 | 分子名称: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | 著者 | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | 登録日 | 2014-04-07 | 公開日 | 2014-06-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo. Plos One, 9, 2014
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4KQG
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![BU of 4kqg by Molmil](/molmil-images/mine/4kqg) | Crystal structure of CobT E174A complexed with DMB | 分子名称: | 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ... | 著者 | Chan, C.H, Newmister, S.A, Taylor, K.C, Claas, K.R, Rayment, I, Escalante-Semerena, J.C. | 登録日 | 2013-05-15 | 公開日 | 2014-03-12 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Dissecting cobamide diversity through structural and functional analyses of the base-activating CobT enzyme of Salmonella enterica. Biochim.Biophys.Acta, 1840, 2014
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4D1W
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![BU of 4d1w by Molmil](/molmil-images/mine/4d1w) | A H224Y mutant for VIM-7 from Pseudomonas aeruginosa | 分子名称: | METALLO-B-LACTAMASE, ZINC ION | 著者 | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | 登録日 | 2014-05-05 | 公開日 | 2014-06-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7. Antimicrob.Agents Chemother., 58, 2014
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3ROH
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![BU of 3roh by Molmil](/molmil-images/mine/3roh) | Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL. | 分子名称: | CHLORIDE ION, Leucotoxin LukEv, TRIETHYLENE GLYCOL | 著者 | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2011-04-25 | 公開日 | 2011-05-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structures of the components of the Staphylococcus aureus leukotoxin ED. Acta Crystallogr.,Sect.D, 72, 2016
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4D6C
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![BU of 4d6c by Molmil](/molmil-images/mine/4d6c) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D6Y
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![BU of 4d6y by Molmil](/molmil-images/mine/4d6y) | Crystal structure of the receiver domain of NtrX from Brucella abortus in complex with beryllofluoride and magnesium | 分子名称: | BACTERIAL REGULATORY, FIS FAMILY PROTEIN, BERYLLIUM TRIFLUORIDE ION, ... | 著者 | Otero, L.H, Fernandez, I, Carrica, M.C, Klinke, S, Goldbaum, F.A. | 登録日 | 2014-11-18 | 公開日 | 2015-07-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Snapshots of Conformational Changes Shed Light Into the Ntrx Receiver Domain Signal Transduction Mechanism J.Mol.Biol., 427, 2015
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4L1I
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4L24
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![BU of 4l24 by Molmil](/molmil-images/mine/4l24) | Crystal structure of metallo-DNA duplex containing consecutive T-Hg(II)-T base pairs | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*TP*TP*TP*CP*GP*CP*G)-3'), MERCURY (II) ION | 著者 | Kondo, J, Yamada, T, Hirose, C, Okamoto, I, Tanaka, Y, Ono, A. | 登録日 | 2013-06-04 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of Metallo DNA Duplex Containing Consecutive Watson-Crick-like T-Hg(II) -T Base Pairs Angew.Chem.Int.Ed.Engl., 53, 2014
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3R91
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![BU of 3r91 by Molmil](/molmil-images/mine/3r91) | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | 分子名称: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | 著者 | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | 登録日 | 2011-03-24 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. Bioorg.Med.Chem.Lett., 21, 2011
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4KZ7
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![BU of 4kz7 by Molmil](/molmil-images/mine/4kz7) | Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) | 分子名称: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4L12
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