6AIK
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![BU of 6aik by Molmil](/molmil-images/mine/6aik) | Cab2 mutant H337A complex with phosphopantothenoyl-CMP | 分子名称: | PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2 | 著者 | Zheng, P, Zhu, Z. | 登録日 | 2018-08-24 | 公開日 | 2019-03-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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1U8F
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3I8P
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3T26
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![BU of 3t26 by Molmil](/molmil-images/mine/3t26) | Orthorhombic trypsin (bovine) in the presence of sarcosine | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Cahn, J, Venkat, M, Marshall, H, Juers, D. | 登録日 | 2011-07-22 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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6BEC
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![BU of 6bec by Molmil](/molmil-images/mine/6bec) | Crystal structure of VACV D13 in complex with Rifabutin | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, RIFABUTIN, ... | 著者 | Garriga, D, Accurso, C, Coulibaly, F. | 登録日 | 2017-10-25 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6IRH
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![BU of 6irh by Molmil](/molmil-images/mine/6irh) | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III | 分子名称: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | 著者 | Zhang, J, Chang, S, Zhang, X, Zhu, S. | 登録日 | 2018-11-12 | 公開日 | 2019-01-16 | 最終更新日 | 2019-06-05 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors Cell Rep, 25, 2018
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4EDT
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![BU of 4edt by Molmil](/molmil-images/mine/4edt) | The structure of the S. aureus DnaG RNA Polymerase Domain bound to ppGpp and Manganese | 分子名称: | BENZAMIDINE, DNA primase, GUANOSINE-5',3'-TETRAPHOSPHATE, ... | 著者 | Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M. | 登録日 | 2012-03-27 | 公開日 | 2012-07-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | 主引用文献 | Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases. Structure, 20, 2012
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6B1V
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![BU of 6b1v by Molmil](/molmil-images/mine/6b1v) | Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose | 分子名称: | 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | 著者 | Hettle, A.G, Boraston, A.B. | 登録日 | 2017-09-19 | 公開日 | 2018-03-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme. Structure, 26, 2018
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1SFF
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![BU of 1sff by Molmil](/molmil-images/mine/1sff) | Structure of gamma-aminobutyrate aminotransferase complex with aminooxyacetate | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | 著者 | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | 登録日 | 2004-02-19 | 公開日 | 2004-09-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase. Biochemistry, 43, 2004
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6IA4
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6OTG
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![BU of 6otg by Molmil](/molmil-images/mine/6otg) | HIV-1 protease triple mutants V32I, I47V, V82I with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate) | 分子名称: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, FORMIC ACID, GLYCEROL, ... | 著者 | Wang, Y.-F, Pawar, S, Weber, I.T. | 登録日 | 2019-05-03 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I. Biochem.Biophys.Res.Commun., 514, 2019
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3ILF
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![BU of 3ilf by Molmil](/molmil-images/mine/3ilf) | Crystal structure of porphyranase A (PorA) in complex with neo-porphyrotetraose | 分子名称: | 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-alpha-D-galactopyranose, ACETATE ION, CALCIUM ION, ... | 著者 | Hehemann, J.H, Correc, G, Barbeyron, T, Helbert, W, Michel, G, Czjzek, M. | 登録日 | 2009-08-07 | 公開日 | 2010-04-07 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Transfer of carbohydrate-active enzymes from marine bacteria to Japanese gut microbiota. Nature, 464, 2010
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5EY2
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![BU of 5ey2 by Molmil](/molmil-images/mine/5ey2) | Crystal structure of CodY from Bacillus cereus | 分子名称: | GTP-sensing transcriptional pleiotropic repressor CodY | 著者 | Han, A, Lee, W.C, Son, J, Kim, S.H, Hwang, K.Y. | 登録日 | 2015-11-24 | 公開日 | 2016-09-14 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The structure of the pleiotropic transcription regulator CodY provides insight into its GTP-sensing mechanism Nucleic Acids Res., 44, 2016
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3ICK
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![BU of 3ick by Molmil](/molmil-images/mine/3ick) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate | 分子名称: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3T29
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![BU of 3t29 by Molmil](/molmil-images/mine/3t29) | TMAO-grown trigonal trypsin (bovine) | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Cahn, J, Venkat, M, Marshall, H, Juers, D. | 登録日 | 2011-07-22 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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6SAU
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![BU of 6sau by Molmil](/molmil-images/mine/6sau) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance. | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ... | 著者 | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | 登録日 | 2019-07-17 | 公開日 | 2019-10-23 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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6SCZ
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![BU of 6scz by Molmil](/molmil-images/mine/6scz) | Mycobacterium tuberculosis alanine racemase inhibited by DCS | 分子名称: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S. | 登録日 | 2019-07-26 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition. Nat.Chem.Biol., 16, 2020
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5J4T
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![BU of 5j4t by Molmil](/molmil-images/mine/5j4t) | Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | 著者 | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | 登録日 | 2016-04-01 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life, 69, 2017
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8RZC
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![BU of 8rzc by Molmil](/molmil-images/mine/8rzc) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-imidazol-1-yl-benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 To Be Published
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8RZD
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![BU of 8rzd by Molmil](/molmil-images/mine/8rzd) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 To Be Published
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8RZE
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![BU of 8rze by Molmil](/molmil-images/mine/8rze) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 To Be Published
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6SI5
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![BU of 6si5 by Molmil](/molmil-images/mine/6si5) | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | 分子名称: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | 登録日 | 2019-08-08 | 公開日 | 2020-08-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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4D5Q
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![BU of 4d5q by Molmil](/molmil-images/mine/4d5q) | Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | 著者 | Momeni, M.H, Stahlberg, J, Hansson, H. | 登録日 | 2014-11-07 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides. FEBS J., 282, 2015
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6F93
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![BU of 6f93 by Molmil](/molmil-images/mine/6f93) | Helicobacter pylori serine hydroxymethyl transferase in apo form | 分子名称: | Serine hydroxymethyltransferase | 著者 | Sodolescu, A, Dian, C, Terradot, L, Bouzhir-Sima, L, Lestini, R, Myllykallio, H, Skouloubris, S, Liebl, U. | 登録日 | 2017-12-13 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural and functional insight into serine hydroxymethyltransferase from Helicobacter pylori. PLoS ONE, 13, 2018
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6B87
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![BU of 6b87 by Molmil](/molmil-images/mine/6b87) | Crystal structure of transmembrane protein TMHC2_E | 分子名称: | TMHC2_E | 著者 | Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D. | 登録日 | 2017-10-05 | 公開日 | 2018-03-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.947 Å) | 主引用文献 | Accurate computational design of multipass transmembrane proteins. Science, 359, 2018
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