1OFR
 
 | | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE | | 分子名称: | MANGANESE (II) ION, PHENYLALANINE, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | | 著者 | Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R. | | 登録日 | 2003-04-18 | | 公開日 | 2004-04-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism.
J.Mol.Biol., 337, 2004
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1OK0
 | | Crystal Structure of Tendamistat | | 分子名称: | ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL | | 著者 | Koenig, V, Vertesy, L, Schneider, T.R. | | 登録日 | 2003-07-16 | | 公開日 | 2004-01-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A
Acta Crystallogr.,Sect.D, 59, 2003
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1PWL
 | | Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | | 分子名称: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | 著者 | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | | 登録日 | 2003-07-02 | | 公開日 | 2004-02-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
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1PWM
 | | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | | 登録日 | 2003-07-02 | | 公開日 | 2004-02-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
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1T46
 | | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog, PHOSPHATE ION | | 著者 | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | | 登録日 | 2004-04-28 | | 公開日 | 2004-06-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
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1T45
 | | STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | | 分子名称: | Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog | | 著者 | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | | 登録日 | 2004-04-28 | | 公開日 | 2004-06-15 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
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1UP9
 | | REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | 分子名称: | CYTOCHROME C3, HEME C, SULFATE ION | | 著者 | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | 登録日 | 2003-09-29 | | 公開日 | 2004-09-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1UPD
 | | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | 分子名称: | CYTOCHROME C3, HEME C | | 著者 | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | 登録日 | 2003-09-29 | | 公開日 | 2004-09-30 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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6ZBV
 | | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | | 分子名称: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | | 著者 | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | | 登録日 | 2020-06-09 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
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6ZPL
 | | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | | 分子名称: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | | 著者 | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | | 登録日 | 2020-07-08 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.945 Å) | | 主引用文献 | Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
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7AF2
 | | Salmonella typhimurium neuraminidase mutant (D62G) | | 分子名称: | GLYCEROL, PHOSPHATE ION, Sialidase | | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | | 登録日 | 2020-09-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.792 Å) | | 主引用文献 | Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
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7AEY
 | | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. | | 分子名称: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F. | | 登録日 | 2020-09-18 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.919 Å) | | 主引用文献 | Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
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5OLT
 | | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | | 分子名称: | CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION | | 著者 | Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-08 | | 最終更新日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
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5OJH
 | | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | | 分子名称: | CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION | | 著者 | Schneider, G, Vella, P, Lindqvist, Y, Schnell, R. | | 登録日 | 2017-07-21 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6YVF
 | | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | | 分子名称: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-28 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2021-02-05 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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3LZT
 | | REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION | | 分子名称: | ACETATE ION, LYSOZYME, NITRATE ION | | 著者 | Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. | | 登録日 | 1997-03-23 | | 公開日 | 1998-03-25 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (0.925 Å) | | 主引用文献 | Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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5N0K
 | | Rat ceruloplasmin orthorhombic form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | | 著者 | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B. | | 登録日 | 2017-02-03 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rat ceruloplasmin: a new labile copper binding site and zinc/copper mosaic.
Metallomics, 9, 2017
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6EWY
 | | RipA Peptidoglycan hydrolase (Rv1477, Mycobacterium tuberculosis) N-terminal domain | | 分子名称: | Peptidoglycan endopeptidase RipA | | 著者 | Schnell, R, Steiner, E.M, Schneider, G, Guy, J, Bourenkov, G. | | 登録日 | 2017-11-07 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structure of the N-terminal module of the cell wall hydrolase RipA and its role in regulating catalytic activity.
Proteins, 86, 2018
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4LZT
 | | ATOMIC RESOLUTION REFINEMENT OF TRICLINIC HEW LYSOZYME AT 295K | | 分子名称: | LYSOZYME, NITRATE ION | | 著者 | Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. | | 登録日 | 1997-03-31 | | 公開日 | 1998-04-01 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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8CD5
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using CrystFEL | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-01-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CD4
 | | structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-01-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CD6
 | | structure of HEX-1 (cyto V2) from N. crassa grown in living insect cells, diffracted at 100K and resolved using CrystFEL | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-01-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CGX
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using XDS | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-02-06 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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