2RML
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![BU of 2rml by Molmil](/molmil-images/mine/2rml) | Solution structure of the N-terminal soluble domains of Bacillus subtilis CopA | 分子名称: | Copper-transporting P-type ATPase copA | 著者 | Singleton, C, Banci, L, Bertini, I, Ciofi-Baffoni, S, Tenori, L, Kihlken, M.A, Boetzel, R, Le Brun, N.E. | 登録日 | 2007-10-30 | 公開日 | 2008-02-26 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and Cu(I)-binding properties of the N-terminal soluble domains of Bacillus subtilis CopA Biochem.J., 411, 2008
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8A4T
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![BU of 8a4t by Molmil](/molmil-images/mine/8a4t) | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | 登録日 | 2022-06-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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2VEU
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![BU of 2veu by Molmil](/molmil-images/mine/2veu) | Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | 分子名称: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | 著者 | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | 登録日 | 2007-10-27 | 公開日 | 2007-11-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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8I4W
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![BU of 8i4w by Molmil](/molmil-images/mine/8i4w) | Cryo-EM structure of 5-subunit Smc5/6 head region | 分子名称: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (6.01 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4V
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![BU of 8i4v by Molmil](/molmil-images/mine/8i4v) | Cryo-EM structure of 5-subunit Smc5/6 arm region | 分子名称: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (5.97 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I13
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![BU of 8i13 by Molmil](/molmil-images/mine/8i13) | Cryo-EM structure of 6-subunit Smc5/6 | 分子名称: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-12 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4X
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![BU of 8i4x by Molmil](/molmil-images/mine/8i4x) | Cryo-EM structure of 5-subunit Smc5/6 | 分子名称: | E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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2VUB
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![BU of 2vub by Molmil](/molmil-images/mine/2vub) | CCDB, A TOPOISOMERASE POISON FROM E. COLI | 分子名称: | CCDB, CHLORIDE ION | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | 登録日 | 1998-04-21 | 公開日 | 1998-06-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli. J.Mol.Biol., 285, 1999
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6OEA
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![BU of 6oea by Molmil](/molmil-images/mine/6oea) | Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | 著者 | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-03-27 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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6OGD
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![BU of 6ogd by Molmil](/molmil-images/mine/6ogd) | Cryo-EM structure of YenTcA in its prepore state | 分子名称: | Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2 | 著者 | Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J. | 登録日 | 2019-04-02 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin. Nat Commun, 10, 2019
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2X8A
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![BU of 2x8a by Molmil](/molmil-images/mine/2x8a) | Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain | 分子名称: | NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION | 著者 | Moche, M, Schuetz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H. | 登録日 | 2010-03-08 | 公開日 | 2010-03-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain To be Published
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6OE7
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![BU of 6oe7 by Molmil](/molmil-images/mine/6oe7) | Crystal structure of HMCES cross-linked to DNA abasic site | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | 著者 | Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-03-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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6ELA
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![BU of 6ela by Molmil](/molmil-images/mine/6ela) | Crystal structure of MMP12 in complex with inhibitor BE4. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-09-28 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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1F5R
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![BU of 1f5r by Molmil](/molmil-images/mine/1f5r) | RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | 分子名称: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | 著者 | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | 登録日 | 2000-06-15 | 公開日 | 2001-07-04 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity. Protein Sci., 10, 2001
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6Y7F
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![BU of 6y7f by Molmil](/molmil-images/mine/6y7f) | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) | 分子名称: | CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ... | 著者 | Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-28 | 公開日 | 2020-05-13 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) TO BE PUBLISHED
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2Z8O
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![BU of 2z8o by Molmil](/molmil-images/mine/2z8o) | Structural basis for the catalytic mechanism of phosphothreonine lyase | 分子名称: | 27.5 kDa virulence protein, L(+)-TARTARIC ACID | 著者 | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | 登録日 | 2007-09-07 | 公開日 | 2007-12-18 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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5Y9Q
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![BU of 5y9q by Molmil](/molmil-images/mine/5y9q) | |
6P5S
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![BU of 6p5s by Molmil](/molmil-images/mine/6p5s) | HIPK2 kinase domain bound to CX-4945 | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | 著者 | Agnew, C, Liu, L, Jura, N. | 登録日 | 2019-05-30 | 公開日 | 2019-07-31 | 最終更新日 | 2019-09-25 | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | 主引用文献 | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region. J.Biol.Chem., 294, 2019
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2VEW
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![BU of 2vew by Molmil](/molmil-images/mine/2vew) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | 分子名称: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | 著者 | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | 登録日 | 2007-10-27 | 公開日 | 2007-11-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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368D
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![BU of 368d by Molmil](/molmil-images/mine/368d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L, Malinina, L. | 登録日 | 1997-12-19 | 公開日 | 1998-07-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
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2WNS
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![BU of 2wns by Molmil](/molmil-images/mine/2wns) | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | 分子名称: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | 著者 | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | 登録日 | 2009-07-19 | 公開日 | 2009-08-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp) To be Published
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2VYW
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![BU of 2vyw by Molmil](/molmil-images/mine/2vyw) | Hemoglobin (Hb2) from trematode Fasciola hepatica | 分子名称: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Dewilde, S, Ioanitescu, A.I, Kiger, L, Gilany, K, Marden, M.C, Van Doorslaer, S, Vercruysse, J, Pesce, A, Nardini, M, Bolognesi, M, Moens, L. | 登録日 | 2008-07-29 | 公開日 | 2008-08-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Hemoglobins of the Trematodes Fasciola Hepatica and Paramphistomum Epiclitum: A Molecular Biological, Physico-Chemical, Kinetic, and Vaccination Study. Protein Sci., 17, 2008
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8AS0
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![BU of 8as0 by Molmil](/molmil-images/mine/8as0) | PD-1 extracellular domain in complex with Fab fragment from D12 antibody | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ongaro, T, Scietti, L, Pluss, L, Peissert, F, Villa, A, Puca, E, De Luca, R, Neri, D, Forneris, F. | 登録日 | 2022-08-17 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Selection of a PD-1 blocking antibody from a novel fully human phage display library. Protein Sci., 31, 2022
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2W7T
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![BU of 2w7t by Molmil](/molmil-images/mine/2w7t) | Trypanosoma brucei CTPS - glutaminase domain with bound acivicin | 分子名称: | CHLORIDE ION, PUTATIVE CYTIDINE TRIPHOSPHATE SYNTHASE | 著者 | Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2008-12-30 | 公開日 | 2009-01-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Trypanosoma Brucei Ctps - Glutaminase Domain with Bound Acivicin To be Published
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2W2O
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![BU of 2w2o by Molmil](/molmil-images/mine/2w2o) | PCSK9-deltaC D374Y mutant bound to WT EGF-A of LDLR | 分子名称: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | 著者 | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | 登録日 | 2008-11-03 | 公開日 | 2008-11-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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