7FS4
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![BU of 7fs4 by Molmil](/molmil-images/mine/7fs4) | Structure of liver pyruvate kinase in complex with allosteric modulator 16 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS9
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![BU of 7fs9 by Molmil](/molmil-images/mine/7fs9) | Structure of liver pyruvate kinase in complex with allosteric modulator 22 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.721 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FSD
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![BU of 7fsd by Molmil](/molmil-images/mine/7fsd) | Structure of liver pyruvate kinase in complex with allosteric modulator 44 | Descriptor: | (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS2
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![BU of 7fs2 by Molmil](/molmil-images/mine/7fs2) | Structure of liver pyruvate kinase in complex with allosteric modulator 13 | Descriptor: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS8
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![BU of 7fs8 by Molmil](/molmil-images/mine/7fs8) | Structure of liver pyruvate kinase in complex with allosteric modulator 21 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FSC
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![BU of 7fsc by Molmil](/molmil-images/mine/7fsc) | Structure of liver pyruvate kinase in complex with allosteric modulator 42 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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6HK2
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![BU of 6hk2 by Molmil](/molmil-images/mine/6hk2) | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | Descriptor: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A. | Deposit date: | 2018-09-05 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice. Int J Mol Sci, 21, 2020
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5E73
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![BU of 5e73 by Molmil](/molmil-images/mine/5e73) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | Authors: | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | Deposit date: | 2015-10-11 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
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3V77
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![BU of 3v77 by Molmil](/molmil-images/mine/3v77) | Crystal structure of a putative fumarylacetoacetate isomerase/hydrolase from Oleispira antarctica | Descriptor: | ACETATE ION, D(-)-TARTARIC ACID, Putative fumarylacetoacetate isomerase/hydrolase, ... | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Bochkarev, A, Edwards, A.M, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-12-20 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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6NXA
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![BU of 6nxa by Molmil](/molmil-images/mine/6nxa) | ECAII(D90T,K162T) MUTANT AT PH 7 | Descriptor: | ACETIC ACID, GLYCEROL, L-asparaginase 2 | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2019-02-08 | Release date: | 2019-08-07 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
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5XBH
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6NXC
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4UQY
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![BU of 4uqy by Molmil](/molmil-images/mine/4uqy) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | HSIB1, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. J.Biol.Chem., 289, 2014
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4USL
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![BU of 4usl by Molmil](/molmil-images/mine/4usl) | The X-ray structure of calcium bound human sorcin | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, SORCIN, ... | Authors: | Ilari, A, Fiorillo, A, Colotti, G. | Deposit date: | 2014-07-10 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction. Sci.Rep., 5, 2015
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7P0Z
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![BU of 7p0z by Molmil](/molmil-images/mine/7p0z) | 2.43 A Mycobacterium marinum EspB. | Descriptor: | ESX-1 secretion-associated protein EspB | Authors: | Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-07-01 | Release date: | 2021-08-18 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Priming mycobacterial ESX-secreted protein B to form a channel-like structure. Curr Res Struct Biol, 3, 2021
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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7P13
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![BU of 7p13 by Molmil](/molmil-images/mine/7p13) | 2.29 A Mycobacterium tuberculosis EspB. | Descriptor: | ESX-1 secretion-associated protein EspB | Authors: | Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-07-01 | Release date: | 2021-08-18 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Priming mycobacterial ESX-secreted protein B to form a channel-like structure. Curr Res Struct Biol, 3, 2021
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4UXM
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![BU of 4uxm by Molmil](/molmil-images/mine/4uxm) | Crystal Structure of Struthiocalcin-1, a different crystal form. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, STRUTHIOCALCIN-1 | Authors: | Ruiz-Arellano, R.R, Moreno, A, Romero, A. | Deposit date: | 2014-08-26 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms. Acta Crystallogr.,Sect.D, 71, 2015
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5XMR
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![BU of 5xmr by Molmil](/molmil-images/mine/5xmr) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395 | Descriptor: | (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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6TSG
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![BU of 6tsg by Molmil](/molmil-images/mine/6tsg) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma. J.Med.Chem., 63, 2020
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4UU2
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![BU of 4uu2 by Molmil](/molmil-images/mine/4uu2) | Ferulic acid decarboxylase from Enterobacter sp., single mutant | Descriptor: | FERULIC ACID DECARBOXYLASE, GLYCINE, PHOSPHATE ION, ... | Authors: | Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K. | Deposit date: | 2014-07-24 | Release date: | 2015-06-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases. Adv. Synth. Catal., 357, 2015
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6NX8
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4UY3
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![BU of 4uy3 by Molmil](/molmil-images/mine/4uy3) | Cytoplasmic domain of bacterial cell division protein ezra | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-28 | Release date: | 2014-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
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7P68
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![BU of 7p68 by Molmil](/molmil-images/mine/7p68) | Globular glial tauopathy type 3 tau filament | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | Deposit date: | 2021-07-15 | Release date: | 2021-09-15 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure-based classification of tauopathies. Nature, 598, 2021
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