7UAB
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![BU of 7uab by Molmil](/molmil-images/mine/7uab) | Human pro-meprin alpha (zymogen state) | Descriptor: | 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, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-12 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAC
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![BU of 7uac by Molmil](/molmil-images/mine/7uac) | Human pro-meprin alpha (zymogen state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Meprin A subunit alpha, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-12 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAE
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![BU of 7uae by Molmil](/molmil-images/mine/7uae) | Human meprin alpha (active state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-12 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAI
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![BU of 7uai by Molmil](/molmil-images/mine/7uai) | Meprin alpha helix in complex with fetuin-B | Descriptor: | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-13 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAF
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![BU of 7uaf by Molmil](/molmil-images/mine/7uaf) | Human meprin alpha inhibitory complex with compound 10d (N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide) | Descriptor: | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-12 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7SYF
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![BU of 7syf by Molmil](/molmil-images/mine/7syf) | Reconstruction of full-length Prex-1 (PtdIns(3,4,5)P3-dependent Rac Exchanger 1) | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein,Endolysin chimera | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-11-24 | Release date: | 2022-07-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure of the metastatic factor P-Rex1 reveals a two-layered autoinhibitory mechanism. Nat.Struct.Mol.Biol., 29, 2022
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5FNT
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![BU of 5fnt by Molmil](/molmil-images/mine/5fnt) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZJ
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![BU of 5fzj by Molmil](/molmil-images/mine/5fzj) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-14 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FNS
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![BU of 5fns by Molmil](/molmil-images/mine/5fns) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FNU
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![BU of 5fnu by Molmil](/molmil-images/mine/5fnu) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FNR
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![BU of 5fnr by Molmil](/molmil-images/mine/5fnr) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FNQ
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![BU of 5fnq by Molmil](/molmil-images/mine/5fnq) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZN
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![BU of 5fzn by Molmil](/molmil-images/mine/5fzn) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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8DE6
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![BU of 8de6 by Molmil](/molmil-images/mine/8de6) | Oligomeric C9 in complex with aE11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement component C9, ... | Authors: | Bayly-Jones, C. | Deposit date: | 2022-06-20 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The neoepitope of the complement C5b-9 Membrane Attack Complex is formed by proximity of adjacent ancillary regions of C9. Commun Biol, 6, 2023
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7MP5
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![BU of 7mp5 by Molmil](/molmil-images/mine/7mp5) | Autoinhibited neurofibrobmin | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-04 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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7MP6
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![BU of 7mp6 by Molmil](/molmil-images/mine/7mp6) | Neurofibromin homodimer | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-04 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.25 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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7MOC
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![BU of 7moc by Molmil](/molmil-images/mine/7moc) | Neurofibromin core | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-01 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.56 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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6U2J
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![BU of 6u2j by Molmil](/molmil-images/mine/6u2j) | EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-20 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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6U2W
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![BU of 6u2w by Molmil](/molmil-images/mine/6u2w) | EM structure of MPEG-1(L425K) pre-pore complex bound to liposome | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-20 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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6U23
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![BU of 6u23 by Molmil](/molmil-images/mine/6u23) | EM structure of MPEG-1(w.t.) soluble pre-pore | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-19 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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6U2L
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![BU of 6u2l by Molmil](/molmil-images/mine/6u2l) | EM structure of MPEG-1 (L425K, beta conformation) soluble pre-pore complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-20 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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6U2K
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![BU of 6u2k by Molmil](/molmil-images/mine/6u2k) | |
2IXQ
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![BU of 2ixq by Molmil](/molmil-images/mine/2ixq) | The solution structure of the invasive tip complex from Afa-Dr fibrils | Descriptor: | Afimbrial adhesin AFA-III, Protein AfaD | Authors: | Cota, E, Jones, C, Simpson, P, Altroff, H, Anderson, K.L, du Merle, L, Guignot, J, Servin, A, Le Bouguenec, C, Mardon, H, Matthews, S. | Deposit date: | 2006-07-10 | Release date: | 2006-09-20 | Last modified: | 2018-12-05 | Method: | SOLUTION NMR | Cite: | The solution structure of the invasive tip complex from Afa/Dr fibrils. Mol. Microbiol., 62, 2006
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6OD9
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![BU of 6od9 by Molmil](/molmil-images/mine/6od9) | Co-crystal structure of the Fusobacterium ulcerans ZTP riboswitch using an X-ray free-electron laser | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CESIUM ION, MAGNESIUM ION, ... | Authors: | Jones, C.P, Tran, B, Ferre-D'Amare, A.R. | Deposit date: | 2019-03-26 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.102 Å) | Cite: | Co-crystal structure of the Fusobacterium ulcerans ZTP riboswitch using an X-ray free-electron laser. Acta Crystallogr.,Sect.F, 75, 2019
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8CIJ
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![BU of 8cij by Molmil](/molmil-images/mine/8cij) | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Musil, D, Toure, M. | Deposit date: | 2023-02-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.821 Å) | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency. Bioorg.Med.Chem., 92, 2023
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