7UYU
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![BU of 7uyu by Molmil](/molmil-images/mine/7uyu) | Crystal structure of TYK2 kinase domain in complex with compound 30 | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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7UYR
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![BU of 7uyr by Molmil](/molmil-images/mine/7uyr) | Crystal structure of TYK2 kinase domain in complex with compound 12 | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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4RJD
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![BU of 4rjd by Molmil](/molmil-images/mine/4rjd) | TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Feldkamp, M.D, Gakhar, L, Pandey, N, Shea, M.A. | Deposit date: | 2014-10-08 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin. Proteins, 83, 2015
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6BUT
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![BU of 6but by Molmil](/molmil-images/mine/6but) | |
8C1W
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![BU of 8c1w by Molmil](/molmil-images/mine/8c1w) | |
8C21
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![BU of 8c21 by Molmil](/molmil-images/mine/8c21) | |
8C20
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![BU of 8c20 by Molmil](/molmil-images/mine/8c20) | |
8C1Z
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![BU of 8c1z by Molmil](/molmil-images/mine/8c1z) | |
7PZO
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![BU of 7pzo by Molmil](/molmil-images/mine/7pzo) | mite allergen Der p 3 from Dermatophagoides pteronyssinus | Descriptor: | SULFATE ION, mite allergen Der p 3 | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold. J.Biomol.Struct.Dyn., 36, 2018
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6F1Y
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![BU of 6f1y by Molmil](/molmil-images/mine/6f1y) | Dynein light intermediate chain region of the dynein tail/dynactin/BICDR1 complex | Descriptor: | Cytoplasmic dynein 1 heavy chain 1,Dynein heavy chain, Cytoplasmic dynein 1 light intermediate chain 2 | Authors: | Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | Deposit date: | 2017-11-23 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
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7Q87
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![BU of 7q87 by Molmil](/molmil-images/mine/7q87) | Carboxypeptidase T with (S)-3-phenyllactic acid | Descriptor: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, CALCIUM ION, Carboxypeptidase T, ... | Authors: | Timofeev, V.I, Akparov, V.K, Shevtsov, M.B, Kuranova, I.P. | Deposit date: | 2021-11-10 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Carboxypeptidase T with (S)-3-phenyllactic acid To Be Published
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4YK5
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![BU of 4yk5 by Molmil](/molmil-images/mine/4yk5) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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6F1Z
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![BU of 6f1z by Molmil](/molmil-images/mine/6f1z) | Roadblock-1 region of the dynein tail/dynactin/BICDR1 complex | Descriptor: | Cytoplasmic dynein 1 intermediate chain 2, Dynein light chain roadblock-type 1 | Authors: | Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | Deposit date: | 2017-11-23 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
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4YL1
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![BU of 4yl1 by Molmil](/molmil-images/mine/4yl1) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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4YL0
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![BU of 4yl0 by Molmil](/molmil-images/mine/4yl0) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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5T36
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![BU of 5t36 by Molmil](/molmil-images/mine/5t36) | Crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-08-24 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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5TL9
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![BU of 5tl9 by Molmil](/molmil-images/mine/5tl9) | crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-10-10 | Release date: | 2017-03-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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4YL3
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![BU of 4yl3 by Molmil](/molmil-images/mine/4yl3) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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5T37
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![BU of 5t37 by Molmil](/molmil-images/mine/5t37) | crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-08-24 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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5JTB
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![BU of 5jtb by Molmil](/molmil-images/mine/5jtb) | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-09 | Release date: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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6RZW
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![BU of 6rzw by Molmil](/molmil-images/mine/6rzw) | Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes in the GTPgammaS bound state | Descriptor: | Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | Deposit date: | 2019-06-13 | Release date: | 2019-07-24 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (18.799999 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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8FZW
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![BU of 8fzw by Molmil](/molmil-images/mine/8fzw) | Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | Authors: | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L. | Deposit date: | 2023-01-30 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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8RYT
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![BU of 8ryt by Molmil](/molmil-images/mine/8ryt) | Structural characterization of Thogoto Virus nucleoprotein provides insights into RNA encapsidation and assembly | Descriptor: | Nucleoprotein | Authors: | Roske, Y, Mikirtumov, V, Daumke, O, Kudryashev, M, Dick, A. | Deposit date: | 2024-02-09 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Structural characterization of Thogoto Virus nucleoprotein provides insights into viral RNA encapsidation and RNP assembly. Structure, 2024
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4QS5
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![BU of 4qs5 by Molmil](/molmil-images/mine/4qs5) | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Raushel, M, Almo, S.C. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of 5-CARBOXYVANILLATE Decarboxylase from Novosphingobium Aromaticivorans To be Published
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4QRO
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![BU of 4qro by Molmil](/molmil-images/mine/4qro) | CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL | Descriptor: | 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C. | Deposit date: | 2014-07-01 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL To be Published
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