1Q4V
 
 | | CRYSTAL STRUCTURE OF ALLO-ILEA2-INSULIN, AN INACTIVE CHIRAL ANALOGUE: IMPLICATIONS FOR THE MECHANISM OF RECEPTOR | | 分子名称: | Insulin, PHENOL, ZINC ION | | 著者 | Wan, Z.L, Xu, B, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | | 登録日 | 2003-08-04 | | 公開日 | 2003-08-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of allo-Ile(A2)-insulin, an inactive chiral analogue: implications for the
mechanism of receptor binding.
Biochemistry, 42, 2003
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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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4US7
 | | Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis | | 分子名称: | PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION | | 著者 | Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T. | | 登録日 | 2014-07-03 | | 公開日 | 2015-04-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
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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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8OGM
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8OGN
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A09 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, [1,2]thiazolo[5,4-b]pyridin-3-amine | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | CdaA in complex with fragment F2X-Entry A09
To Be Published
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5WBT
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | 著者 | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | 登録日 | 2023-06-18 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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3V19
 | | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | | 著者 | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | | 登録日 | 2011-12-09 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health
To be Published
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3V1G
 | | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | | 著者 | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | | 登録日 | 2011-12-09 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health
To be Published
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3H5E
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8OGP
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03 | | 分子名称: | 2-[(1~{S})-1-azanylpropyl]phenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03
To Be Published
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8OGR
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[3-(diethylamino)phenyl]ethanamide | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07
To Be Published
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8OGU
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 | | 分子名称: | 3,4-dihydro-1~{H}-quinolin-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07
To Be Published
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8OGW
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
To Be Published
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8OH1
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04 | | 分子名称: | 3-phenyl-1,2-oxazol-5-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
To Be Published
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3H5J
 | | LeuD_1-168 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, 3-isopropylmalate dehydratase small subunit, SULFATE ION | | 著者 | Manikandan, K, Geerlof, A, Weiss, M.S. | | 登録日 | 2009-04-22 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural studies on the enzyme complex isopropylmalate isomerase (LeuCD) from Mycobacterium tuberculosis
Proteins, 79, 2011
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8OGO
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12 | | 分子名称: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12
To Be Published
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8OGS
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08
To Be Published
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8OGY
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04 | | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, methyl 4-fluoro-L-phenylalaninate | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04
To Be Published
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8OGQ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06 | | 分子名称: | (1S)-1-(4-nitrophenyl)ethan-1-ol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06
To Be Published
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8OGT
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | | 分子名称: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04
To Be Published
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8OGV
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08 | | 分子名称: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C08
To Be Published
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8OH0
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08 | | 分子名称: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08
To Be Published
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8OGZ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06 | | 分子名称: | (3-methoxyphenyl)-pyrrol-1-yl-methanone, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06
To Be Published
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