2XWT
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![BU of 2xwt by Molmil](/molmil-images/mine/2xwt) | CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ... | 著者 | Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B. | 登録日 | 2010-11-05 | 公開日 | 2011-03-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody. J.Mol.Endocrinol., 46, 2011
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3G04
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![BU of 3g04 by Molmil](/molmil-images/mine/3g04) | Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN THYROID STIMULATING AUTOANTIBODY M22 HEAVY CHAIN, HUMAN THYROID STIMULATING AUTOANTIBODY M22 LIGHT CHAIN, ... | 著者 | Sanders, J, Chirgadze, D.Y, Sanders, P, Baker, S, Sullivan, A, Bhardwaja, A, Bolton, J, Reeve, M, Nakatake, N, Evans, M, Richards, T, Powell, M, Miguel, R.N, Blundell, T.L, Furmaniak, J, Smith, B.R. | 登録日 | 2009-01-27 | 公開日 | 2009-08-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody Thyroid, 17, 2007
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4H7B
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![BU of 4h7b by Molmil](/molmil-images/mine/4h7b) | |
5VCS
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![BU of 5vcs by Molmil](/molmil-images/mine/5vcs) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with Bound Acceptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ... | 著者 | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | 登録日 | 2017-03-31 | 公開日 | 2018-04-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5VCM
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![BU of 5vcm by Molmil](/molmil-images/mine/5vcm) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound UDP and Manganese | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ... | 著者 | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | 登録日 | 2017-03-31 | 公開日 | 2018-04-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5VCR
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![BU of 5vcr by Molmil](/molmil-images/mine/5vcr) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound uranium dioxide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, CHLORIDE ION, ... | 著者 | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | 登録日 | 2017-03-31 | 公開日 | 2018-04-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4K8J
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![BU of 4k8j by Molmil](/molmil-images/mine/4k8j) | Crystal Structure of Staphylococcal nuclease mutant V23L/V66I | 分子名称: | Thermonuclease | 著者 | Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | 登録日 | 2013-04-18 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Hydrophobic core mutants of Staphylococcal nuclease To be Published
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4K8I
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![BU of 4k8i by Molmil](/molmil-images/mine/4k8i) | Crystal Structure of Staphylococcal Nuclease mutant I92V/V99L | 分子名称: | Thermonuclease | 著者 | Sanders, J.M, Latimer, E.C, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | 登録日 | 2013-04-18 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hydrophobic core mutants of Staphylococcal nuclease To be Published
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4XUC
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![BU of 4xuc by Molmil](/molmil-images/mine/4xuc) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one) | 分子名称: | 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ... | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | 登録日 | 2015-01-25 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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1T1R
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![BU of 1t1r by Molmil](/molmil-images/mine/1t1r) | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | 著者 | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | 登録日 | 2004-04-17 | 公開日 | 2004-09-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes J.Am.Chem.Soc., 126, 2004
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1TGY
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![BU of 1tgy by Molmil](/molmil-images/mine/1tgy) | Structure of E. coli Uridine Phosphorylase complexed with uracil and ribose 1-phosphate | 分子名称: | 1-O-phosphono-alpha-D-ribofuranose, POTASSIUM ION, URACIL, ... | 著者 | Bu, W, Settembre, E.C, Sanders, J.M, Begley, T.P, Ealick, S.E. | 登録日 | 2004-05-31 | 公開日 | 2005-06-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of E. coli Uridine Phosphorylase To be Published, 2004
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6NM4
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![BU of 6nm4 by Molmil](/molmil-images/mine/6nm4) | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | 分子名称: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | 著者 | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-01-10 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of a chemical probe for PRDM9. Nat Commun, 10, 2019
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5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | 登録日 | 2016-12-08 | 公開日 | 2017-03-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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6AL7
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![BU of 6al7 by Molmil](/molmil-images/mine/6al7) | Crystal structure HpiC1 F138S | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.687 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL6
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![BU of 6al6 by Molmil](/molmil-images/mine/6al6) | Crystal structure HpiC1 in P42 space group | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL8
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![BU of 6al8 by Molmil](/molmil-images/mine/6al8) | Crystal structure HpiC1 Y101F/F138S | 分子名称: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6BYB
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![BU of 6byb by Molmil](/molmil-images/mine/6byb) | Crystal structure of L3MBTL1 MBT Domain with MBK14970 | 分子名称: | (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ... | 著者 | DONG, A, DOBROVETSKY, E, NICHOLSON, B, COX, C, FISCHER, C, ARMACOST, K, SANDERS, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-20 | 公開日 | 2018-01-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal structure of L3MBTL1 MBT Domain with MBK14970 to be published
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4ESW
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![BU of 4esw by Molmil](/molmil-images/mine/4esw) | Crystal structure of C. albicans Thi5 H66G mutant | 分子名称: | CITRIC ACID, Pyrimidine biosynthesis enzyme THI13 | 著者 | Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | 登録日 | 2012-04-23 | 公開日 | 2012-09-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate. J.Am.Chem.Soc., 134, 2012
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4ESX
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![BU of 4esx by Molmil](/molmil-images/mine/4esx) | Crystal structure of C. albicans Thi5 complexed with PLP | 分子名称: | Pyrimidine biosynthesis enzyme THI13 | 著者 | Huang, S, Fenwick, M.K, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | 登録日 | 2012-04-23 | 公開日 | 2012-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate. J.Am.Chem.Soc., 134, 2012
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4XUD
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![BU of 4xud by Molmil](/molmil-images/mine/4xud) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | 登録日 | 2015-01-25 | 公開日 | 2015-04-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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6XAI
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![BU of 6xai by Molmil](/molmil-images/mine/6xai) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2020-06-04 | 公開日 | 2021-06-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAK
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![BU of 6xak by Molmil](/molmil-images/mine/6xak) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | 分子名称: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2020-06-04 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.479 Å) | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAL
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![BU of 6xal by Molmil](/molmil-images/mine/6xal) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | 分子名称: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2020-06-04 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.349 Å) | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAM
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![BU of 6xam by Molmil](/molmil-images/mine/6xam) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | 分子名称: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2020-06-04 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.481 Å) | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAJ
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![BU of 6xaj by Molmil](/molmil-images/mine/6xaj) | Crystal structure of NzeB | 分子名称: | 1,2-ETHANEDIOL, NzeB, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2020-06-04 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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