6Y4C
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![BU of 6y4c by Molmil](/molmil-images/mine/6y4c) | Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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6Y78
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![BU of 6y78 by Molmil](/molmil-images/mine/6y78) | Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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5LCB
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![BU of 5lcb by Molmil](/molmil-images/mine/5lcb) | In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | Authors: | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | Deposit date: | 2016-06-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | Cite: | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum. Nat Commun, 7, 2016
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6ZA4
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![BU of 6za4 by Molmil](/molmil-images/mine/6za4) | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-cyanophenyl)furan-2-carboxylate | Descriptor: | 5-(3-cyanophenyl)furan-2-carboxylic acid, CHLORIDE ION, Salicylate synthase | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
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6ZA6
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![BU of 6za6 by Molmil](/molmil-images/mine/6za6) | M. tuberculosis salicylate synthase MbtI in complex with Ba2+ | Descriptor: | BARIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
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6ZA5
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![BU of 6za5 by Molmil](/molmil-images/mine/6za5) | M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+ | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
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7AMP
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![BU of 7amp by Molmil](/molmil-images/mine/7amp) | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMQ
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![BU of 7amq by Molmil](/molmil-images/mine/7amq) | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMS
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![BU of 7ams by Molmil](/molmil-images/mine/7ams) | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMR
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![BU of 7amr by Molmil](/molmil-images/mine/7amr) | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | Descriptor: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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5LYM
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![BU of 5lym by Molmil](/molmil-images/mine/5lym) | |
6Z98
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![BU of 6z98 by Molmil](/molmil-images/mine/6z98) | NMR solution structure of the peach allergen Pru p 1.0101 | Descriptor: | Major allergen Pru p 1 | Authors: | Eidelpes, R, Fuehrer, S, Hofer, F, Kamenik, A.S, Liedl, K.R, Tollinger, M. | Deposit date: | 2020-06-03 | Release date: | 2021-06-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Zeatin Binding of the Peach Allergen Pru p 1 . J.Agric.Food Chem., 69, 2021
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7NB1
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![BU of 7nb1 by Molmil](/molmil-images/mine/7nb1) | Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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7NB3
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![BU of 7nb3 by Molmil](/molmil-images/mine/7nb3) | Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide, Choline kinase alpha, ... | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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7NB2
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![BU of 7nb2 by Molmil](/molmil-images/mine/7nb2) | Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ... | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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5JKI
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![BU of 5jki by Molmil](/molmil-images/mine/5jki) | Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | Deposit date: | 2016-04-26 | Release date: | 2017-02-22 | Last modified: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis. Cell. Mol. Life Sci., 74, 2017
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5NFE
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![BU of 5nfe by Molmil](/molmil-images/mine/5nfe) | Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-03-14 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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5NFW
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![BU of 5nfw by Molmil](/molmil-images/mine/5nfw) | Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue) | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-03-16 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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7P3V
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![BU of 7p3v by Molmil](/molmil-images/mine/7p3v) | B-Raf V600E structure bound to a new inhibitor | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | Authors: | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | Deposit date: | 2021-07-08 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J.Med.Chem., 65, 2022
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8F0L
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![BU of 8f0l by Molmil](/molmil-images/mine/8f0l) | |
5M06
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![BU of 5m06 by Molmil](/molmil-images/mine/5m06) | Crystal structure of Mycobacterium tuberculosis PknI kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI | Authors: | Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5M07
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![BU of 5m07 by Molmil](/molmil-images/mine/5m07) | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5M08
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![BU of 5m08 by Molmil](/molmil-images/mine/5m08) | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A double mutant | Descriptor: | Serine/threonine-protein kinase PknI | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5M09
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![BU of 5m09 by Molmil](/molmil-images/mine/5m09) | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5MMU
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![BU of 5mmu by Molmil](/molmil-images/mine/5mmu) | NMR solution structure of the major apple allergen Mal d 1 | Descriptor: | Major allergen Mal d 1 | Authors: | Ahammer, L, Grutsch, S, Kamenik, A.S, Liedl, K.R, Tollinger, M. | Deposit date: | 2016-12-12 | Release date: | 2017-02-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Major Apple Allergen Mal d 1. J. Agric. Food Chem., 65, 2017
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