5ALC
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![BU of 5alc by Molmil](/molmil-images/mine/5alc) | Ticagrelor antidote candidate Fab 72 in complex with ticagrelor | Descriptor: | ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | Deposit date: | 2015-03-07 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor. Blood, 125, 2015
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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) | Descriptor: | 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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6Y6K
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![BU of 6y6k by Molmil](/molmil-images/mine/6y6k) | Cryo-EM structure of a Phenuiviridae L protein | Descriptor: | MAGNESIUM ION, RNA-dependent RNA polymerase | Authors: | Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M. | Deposit date: | 2020-02-26 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein. Nucleic Acids Res., 48, 2020
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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) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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7OE7
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![BU of 7oe7 by Molmil](/molmil-images/mine/7oe7) | Apo-structure of Lassa virus L protein (well-resolved alpha ribbon) [APO-RIBBON] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-01 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OEA
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![BU of 7oea by Molmil](/molmil-images/mine/7oea) | Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OCH
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![BU of 7och by Molmil](/molmil-images/mine/7och) | Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-04-26 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OE3
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![BU of 7oe3 by Molmil](/molmil-images/mine/7oe3) | Apo-structure of Lassa virus L protein (well-resolved endonuclease) [APO-ENDO] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-01 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OEB
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![BU of 7oeb by Molmil](/molmil-images/mine/7oeb) | Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7W7S
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![BU of 7w7s by Molmil](/molmil-images/mine/7w7s) | High resolution structure of a fish aquaporin reveals a novel extracellular fold. | Descriptor: | Aquaporin 1 | Authors: | Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K. | Deposit date: | 2021-12-06 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution structure of a fish aquaporin reveals a novel extracellular fold. Life Sci Alliance, 5, 2022
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7OJK
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![BU of 7ojk by Molmil](/molmil-images/mine/7ojk) | Lassa virus L protein bound to the distal promoter duplex [DISTAL-PROMOTER] | Descriptor: | 3' RNA, 5' RNA, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJL
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![BU of 7ojl by Molmil](/molmil-images/mine/7ojl) | Lassa virus L protein in a pre-initiation conformation [PREINITIATION] | Descriptor: | 3' RNA, 5' RNA, MANGANESE (II) ION, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJJ
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![BU of 7ojj by Molmil](/molmil-images/mine/7ojj) | Lassa virus L protein with endonuclease and C-terminal domains in close proximity [MID-LINK] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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6XRA
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![BU of 6xra by Molmil](/molmil-images/mine/6xra) | Distinct conformational states of SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
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7OY0
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![BU of 7oy0 by Molmil](/molmil-images/mine/7oy0) | Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | Descriptor: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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5AAV
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![BU of 5aav by Molmil](/molmil-images/mine/5aav) | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | Deposit date: | 2015-07-29 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
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5AAU
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![BU of 5aau by Molmil](/molmil-images/mine/5aau) | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | Descriptor: | 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | Deposit date: | 2015-07-28 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
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2YKD
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![BU of 2ykd by Molmil](/molmil-images/mine/2ykd) | Structure of the matrix protein from human respiratory syncytial virus | Descriptor: | ACETATE ION, MATRIX PROTEIN | Authors: | McPhee, H.K, Carlisle, J.L, Beeby, A, Money, V.A, Watson, S.M.D, Yeo, R.P, Sanderson, J.M. | Deposit date: | 2011-05-26 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Influence of Lipids on the Interfacial Disposition of Respiratory Syncytical Virus Matrix Protein. Langmuir, 27, 2011
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6XEA
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![BU of 6xea by Molmil](/molmil-images/mine/6xea) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to vanadate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XEE
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![BU of 6xee by Molmil](/molmil-images/mine/6xee) | Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XE8
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![BU of 6xe8 by Molmil](/molmil-images/mine/6xe8) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XED
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![BU of 6xed by Molmil](/molmil-images/mine/6xed) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XEF
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![BU of 6xef by Molmil](/molmil-images/mine/6xef) | Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XEG
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![BU of 6xeg by Molmil](/molmil-images/mine/6xeg) | Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to tungstate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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4RGA
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![BU of 4rga by Molmil](/molmil-images/mine/4rga) | Phage 1358 receptor binding protein in complex with the trisaccharide GlcNAc-Galf-GlcOMe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactofuranose-(1-6)-methyl alpha-D-glucopyranoside, Phage 1358 receptor binding protein (ORF20) | Authors: | Spinelli, S, Mccabe, O, Farenc, C, Tremblay, D, Blangy, S, Oscarson, S, Moineau, S, Cambillau, C. | Deposit date: | 2014-09-29 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The targeted recognition of Lactococcus lactis phages to their polysaccharide receptors. Mol.Microbiol., 96, 2015
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