5N21
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![BU of 5n21 by Molmil](/molmil-images/mine/5n21) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | 分子名称: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-02-06 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5N1X
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![BU of 5n1x by Molmil](/molmil-images/mine/5n1x) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | 分子名称: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-02-06 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5LWT
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![BU of 5lwt by Molmil](/molmil-images/mine/5lwt) | Endothiapepsin in complex with a methoxylated derivative of fragment 177 | 分子名称: | 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-09-19 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.069 Å) | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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5K7H
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![BU of 5k7h by Molmil](/molmil-images/mine/5k7h) | Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A | 分子名称: | CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ... | 著者 | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | 登録日 | 2016-05-26 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. Nucleic Acids Res., 45, 2017
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5MU4
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![BU of 5mu4 by Molmil](/molmil-images/mine/5mu4) | Tail Tubular Protein A of Klebsiella pneumoniae bacteriophage KP32 | 分子名称: | Tail tubular protein A | 著者 | Pyra, A, Brzozowska, E, Pawlik, K, Dauter, M, Dauter, Z, Gamian, A. | 登録日 | 2017-01-12 | 公開日 | 2017-05-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Tail tubular protein A: a dual-function tail protein of Klebsiella pneumoniae bacteriophage KP32. Sci Rep, 7, 2017
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5MAS
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![BU of 5mas by Molmil](/molmil-images/mine/5mas) | Peptaibol Bergofungin A | 分子名称: | Bergofungin A | 著者 | Gessmann, R, Petratos, K. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-01 | 実験手法 | X-RAY DIFFRACTION (0.84 Å) | 主引用文献 | A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5MUM
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![BU of 5mum by Molmil](/molmil-images/mine/5mum) | Glycoside Hydrolase BACINT_00347 | 分子名称: | 1,2-ETHANEDIOL, BACINT_00347, PENTAETHYLENE GLYCOL | 著者 | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-04-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5M5N
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![BU of 5m5n by Molmil](/molmil-images/mine/5m5n) | Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations. | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | 著者 | Goulet, A, Moores, C.A, Cross, R.A. | 登録日 | 2016-10-22 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.3 Å) | 主引用文献 | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6Q4X
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![BU of 6q4x by Molmil](/molmil-images/mine/6q4x) | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | 分子名称: | SODIUM ION, Uncharacterized protein | 著者 | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | 登録日 | 2018-12-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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5M5L
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![BU of 5m5l by Molmil](/molmil-images/mine/5m5l) | Pseudo-atomic model of microtubule-bound S. pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | 著者 | Goulet, A, Moores, C.A, Cross, R.A. | 登録日 | 2016-10-21 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.3 Å) | 主引用文献 | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5NBK
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![BU of 5nbk by Molmil](/molmil-images/mine/5nbk) | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2017-03-02 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6WEX
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![BU of 6wex by Molmil](/molmil-images/mine/6wex) | Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H6 Hemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | 著者 | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | 登録日 | 2020-04-03 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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5N20
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![BU of 5n20 by Molmil](/molmil-images/mine/5n20) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | 分子名称: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-02-06 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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6WF1
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![BU of 6wf1 by Molmil](/molmil-images/mine/6wf1) | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H10 Hemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | 著者 | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | 登録日 | 2020-04-03 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (4.19 Å) | 主引用文献 | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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5LWR
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![BU of 5lwr by Molmil](/molmil-images/mine/5lwr) | Endothiapepsin in complex with a derivative of fragment 177 | 分子名称: | 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ... | 著者 | Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-09-19 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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6WF0
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![BU of 6wf0 by Molmil](/molmil-images/mine/6wf0) | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H3 Hemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | 登録日 | 2020-04-03 | 公開日 | 2020-11-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | 主引用文献 | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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6Q4W
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![BU of 6q4w by Molmil](/molmil-images/mine/6q4w) | Structure of MPT-1, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | 分子名称: | LmxM MPT-1 | 著者 | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | 登録日 | 2018-12-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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5KLE
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![BU of 5kle by Molmil](/molmil-images/mine/5kle) | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose | 分子名称: | Carbohydrate binding module E1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | 登録日 | 2016-06-24 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties. J.Biol.Chem., 291, 2016
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6WEZ
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![BU of 6wez by Molmil](/molmil-images/mine/6wez) | Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | 著者 | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | 登録日 | 2020-04-03 | 公開日 | 2020-11-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | 主引用文献 | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
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6Q52
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![BU of 6q52 by Molmil](/molmil-images/mine/6q52) | Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device | 分子名称: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme | 著者 | de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. | 登録日 | 2018-12-06 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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5JNP
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![BU of 5jnp by Molmil](/molmil-images/mine/5jnp) | Crystal structure of a rice (Oryza Sativa) cellulose synthase plant conserved region (P-CR) | 分子名称: | CITRATE ANION, GLYCEROL, PHOSPHATE ION, ... | 著者 | Rushton, P.S, Olek, A.T, Makowski, L, Badger, J, Steussy, C.N, Carpita, N.C, Stauffacher, C.V. | 登録日 | 2016-04-30 | 公開日 | 2016-12-28 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Rice Cellulose SynthaseA8 Plant-Conserved Region Is a Coiled-Coil at the Catalytic Core Entrance. Plant Physiol., 173, 2017
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1GRM
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![BU of 1grm by Molmil](/molmil-images/mine/1grm) | REFINEMENT OF THE SPATIAL STRUCTURE OF THE GRAMICIDIN A TRANSMEMBRANE ION-CHANNEL (RUSSIAN) | 分子名称: | GRAMICIDIN A | 著者 | Arseniev, A.S, Barsukov, I.L, Lomize, A.L, Orekhov, V.Y, Bystrov, V.F. | 登録日 | 1993-10-18 | 公開日 | 1994-01-31 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Refinement of the Spatial Structure of the Gramicidin a Ion Channel Biol.Membr.(Ussr), 18, 1992
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5KLC
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![BU of 5klc by Molmil](/molmil-images/mine/5klc) | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome | 分子名称: | Carbohydrate binding module E1 | 著者 | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | 登録日 | 2016-06-24 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | 主引用文献 | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties. J.Biol.Chem., 291, 2016
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5KLF
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![BU of 5klf by Molmil](/molmil-images/mine/5klf) | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose and gadolinium ion | 分子名称: | Carbohydrate binding module E1, GADOLINIUM ATOM, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | 登録日 | 2016-06-24 | 公開日 | 2016-09-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties. J.Biol.Chem., 291, 2016
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7U5P
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![BU of 7u5p by Molmil](/molmil-images/mine/7u5p) | CRYSTAL STRUCTURE OF THE ACTIVIN RECEPTOR TYPE-2A LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, Inhibin beta A chain | 著者 | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | 登録日 | 2022-03-02 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition. J.Biol.Chem., 298, 2022
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