3IPX
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![BU of 3ipx by Molmil](/molmil-images/mine/3ipx) | X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | Descriptor: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | Authors: | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | Deposit date: | 2009-08-18 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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8OXA
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![BU of 8oxa by Molmil](/molmil-images/mine/8oxa) | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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7B1P
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![BU of 7b1p by Molmil](/molmil-images/mine/7b1p) | Crystal Structure of Human BACE-1 in Complex with Compound 38a (NB-854) | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | Authors: | Rondeau, J.M, Wirth, E. | Deposit date: | 2020-11-25 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360. J.Med.Chem., 64, 2021
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7B1Q
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![BU of 7b1q by Molmil](/molmil-images/mine/7b1q) | Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54) | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide | Authors: | Rondeau, J.M, Wirth, E. | Deposit date: | 2020-11-25 | Release date: | 2021-04-28 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360. J.Med.Chem., 64, 2021
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7B1E
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![BU of 7b1e by Molmil](/molmil-images/mine/7b1e) | BACE1 IN COMPLEX WITH compound 3 (NB-641) | Descriptor: | Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | Authors: | Rondeau, J.M, Wirth, E. | Deposit date: | 2020-11-24 | Release date: | 2021-04-28 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360. J.Med.Chem., 64, 2021
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8OX7
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![BU of 8ox7 by Molmil](/molmil-images/mine/8ox7) | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OX6
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![BU of 8ox6 by Molmil](/molmil-images/mine/8ox6) | Cryo-EM structure of ATP8B1-CDC50A in E1P conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.39 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OX8
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![BU of 8ox8 by Molmil](/molmil-images/mine/8ox8) | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OXB
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![BU of 8oxb by Molmil](/molmil-images/mine/8oxb) | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PC | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OX5
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![BU of 8ox5 by Molmil](/molmil-images/mine/8ox5) | Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OXC
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![BU of 8oxc by Molmil](/molmil-images/mine/8oxc) | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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7OJX
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![BU of 7ojx by Molmil](/molmil-images/mine/7ojx) | E2 UBE2K covalently linked to donor Ub, acceptor di-Ub, and RING E3 primed for K48-linked Ub chain synthesis | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), E3 ubiquitin-protein ligase RNF38, Polyubiquitin-B, ... | Authors: | Majorek, K.A, Nakasone, M.A, Huang, D.T. | Deposit date: | 2021-05-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of UBE2K-Ub/E3/polyUb reveals mechanisms of K48-linked Ub chain extension. Nat.Chem.Biol., 18, 2022
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8OX4
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![BU of 8ox4 by Molmil](/molmil-images/mine/8ox4) | Cryo-EM structure of ATP8B1-CDC50A in E1-ATP conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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8OX9
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![BU of 8ox9 by Molmil](/molmil-images/mine/8ox9) | Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | Deposit date: | 2023-05-01 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1. Nat Commun, 14, 2023
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7PBZ
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![BU of 7pbz by Molmil](/molmil-images/mine/7pbz) | a1b3 GABA-A receptor + GABA + Zn2+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | Authors: | Miller, P.S, Kasaragod, V.B. | Deposit date: | 2021-08-03 | Release date: | 2022-02-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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7PC0
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![BU of 7pc0 by Molmil](/molmil-images/mine/7pc0) | GABA-A receptor bound by a-Cobratoxin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-cobratoxin, ... | Authors: | Kasaragod, V.B, Miller, P.S. | Deposit date: | 2021-08-03 | Release date: | 2022-02-09 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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7PBD
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![BU of 7pbd by Molmil](/molmil-images/mine/7pbd) | a1b3 GABA-A receptor + GABA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Miller, P.S, Kasaragod, V.B. | Deposit date: | 2021-08-02 | Release date: | 2022-02-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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6FU5
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![BU of 6fu5 by Molmil](/molmil-images/mine/6fu5) | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide | Authors: | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-02-26 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling. EMBO J., 37, 2018
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6H5S
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![BU of 6h5s by Molmil](/molmil-images/mine/6h5s) | Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers. | Descriptor: | Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3') | Authors: | Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M. | Deposit date: | 2018-07-25 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication. Proc.Natl.Acad.Sci.USA, 116, 2019
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8F2B
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![BU of 8f2b by Molmil](/molmil-images/mine/8f2b) | Amylin 3 Receptor in complex with Gs and Pramlintide analogue peptide San45 | Descriptor: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J. | Deposit date: | 2022-11-07 | Release date: | 2023-08-02 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Structural insight into selectivity of amylin and calcitonin receptor agonists. Nat.Chem.Biol., 20, 2024
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8F0J
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![BU of 8f0j by Molmil](/molmil-images/mine/8f0j) | Calcitonin Receptor in complex with Gs and Pramlintide analogue peptide San45 | Descriptor: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J. | Deposit date: | 2022-11-03 | Release date: | 2023-08-02 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Structural insight into selectivity of amylin and calcitonin receptor agonists. Nat.Chem.Biol., 20, 2024
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8F0K
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![BU of 8f0k by Molmil](/molmil-images/mine/8f0k) | Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385 | Descriptor: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Cao, J, Sexton, P.M, Wootten, D.L. | Deposit date: | 2022-11-03 | Release date: | 2023-08-02 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Structural insight into selectivity of amylin and calcitonin receptor agonists. Nat.Chem.Biol., 20, 2024
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8F2A
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![BU of 8f2a by Molmil](/molmil-images/mine/8f2a) | Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385 (Cluster 5 conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cao, J, Sexton, P.M, Wootten, D.L, Radostin, D. | Deposit date: | 2022-11-07 | Release date: | 2023-08-02 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structural insight into selectivity of amylin and calcitonin receptor agonists. Nat.Chem.Biol., 20, 2024
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7JUM
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![BU of 7jum by Molmil](/molmil-images/mine/7jum) | Pfs230 D1 domain in complex with neutralizing antibody LMIV230-01 | Descriptor: | Gametocyte surface protein P230, Neutralizing antibody, LMIV230-01 Single-chain Fv | Authors: | Tolia, N, Tang, W.K. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | A human monoclonal antibody blocks malaria transmission and defines a highly conserved neutralizing epitope on gametes. Nat Commun, 12, 2021
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6I9F
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![BU of 6i9f by Molmil](/molmil-images/mine/6i9f) | Solution structure of As-p18 reveals that nematode fatty acid binding proteins exhibit unusual structural features | Descriptor: | Fatty acid-binding protein homolog, OLEIC ACID | Authors: | Ibanez Shimabukuro, M, Rey Burusco, M.F, Kennedy, M.W, Corsico, B, Smith, B.O. | Deposit date: | 2018-11-23 | Release date: | 2019-07-17 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | As-p18, an extracellular fatty acid binding protein of nematodes, exhibits unusual structural features. Biosci.Rep., 2019
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