1KBJ
 
 | | Crystallographic Study of the Recombinant Flavin-binding Domain of Baker's Yeast Flavocytochrome b2: comparison with the Intact Wild-type Enzyme | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME B2, FLAVIN MONONUCLEOTIDE | | Authors: | Cunane, L.M, Barton, J.D, Chen, Z.W, Welsh, F.E, Chapman, S.K, Reid, G.A, Mathews, F.S. | | Deposit date: | 2001-11-06 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic study of the recombinant flavin-binding domain of Baker's yeast flavocytochrome b(2): comparison with the intact wild-type enzyme.
Biochemistry, 41, 2002
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6Q4X
 | | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | | Descriptor: | SODIUM ION, Uncharacterized protein | | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | | Deposit date: | 2018-12-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
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6FUL
 | | Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate | | Descriptor: | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ... | | Authors: | Esposito, C, Sledz, P, Caflisch, A. | | Deposit date: | 2018-02-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
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5NOJ
 | | Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "OPEN" state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E. | | Deposit date: | 2017-04-12 | | Release date: | 2017-08-02 | | Last modified: | 2017-08-09 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6OWH
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-05-09 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6G8F
 | | Crystal structure of UTX complexed with GSK-J1 | | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Esposito, C, Sledz, P, Caflisch, A. | | Deposit date: | 2018-04-08 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
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6OWW
 | | Crystal structure of a Human Cardiac Calsequestrin Filament Complexed with Ytterbium | | Descriptor: | Calsequestrin-2, SULFATE ION, YTTERBIUM (III) ION | | Authors: | Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C. | | Deposit date: | 2019-05-12 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.84 Å) | | Cite: | The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia.
Nat.Struct.Mol.Biol., 27, 2020
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1JNO
 | | Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR) | | Descriptor: | GRAMICIDIN A | | Authors: | Tucker, W.A, Sham, S, Townsley, L.E, Hinton, J.F. | | Deposit date: | 2001-07-24 | | Release date: | 2001-08-08 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Structures of Gramicidins A, B, and C Incorporated Into Sodium Dodecyl Sulfate Micelles.
Biochemistry, 40, 2001
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8UNP
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class E) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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8UNY
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class N) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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3P0L
 | | Human steroidogenic acute regulatory protein | | Descriptor: | Steroidogenic acute regulatory protein, mitochondrial | | Authors: | Lehtio, L, Siponen, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
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5YR2
 | | Structure of cpGFP66BPA | | Descriptor: | Green fluorescent protein | | Authors: | Wang, L, Kang, F, Wang, J. | | Deposit date: | 2017-11-08 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Structure of cpGFP66BPA
To Be Published
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8UO0
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class P) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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8GMB
 | | Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) | | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK | | Authors: | Lin, D.Y, Andreotti, A.H. | | Deposit date: | 2023-03-24 | | Release date: | 2023-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
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3P3T
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8UNT
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class I) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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7ROQ
 | | Alternative Structure of Human ABCA1 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Aller, S.G. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Refined ABCA1 with Domain-swapped Regulatory Domains
Plos One, 2022
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6ONN
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5NHZ
 | | VIM-2_10b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | Descriptor: | Beta-lactamase class B VIM-2, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, K.-K.S, Bayer, A. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
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6FUK
 | | Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Esposito, C, Sledz, P, Caflisch, A. | | Deposit date: | 2018-02-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
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5NI0
 | | VIM-2_10c. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding | | Descriptor: | Beta-lactamase class B VIM-2, ZINC ION, [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid | | Authors: | Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.673 Å) | | Cite: | Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
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6ZGL
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1KMV
 | | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE | | Descriptor: | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, DIMETHYL SULFOXIDE, ... | | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | | Deposit date: | 2001-12-17 | | Release date: | 2002-07-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
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6GBK
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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3PBB
 | | Crystal structure of human secretory glutaminyl cyclase in complex with PBD150 | | Descriptor: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.F, Liaw, S.S, Huang, W.L, Chia, C.Y, Lo, Y.C, Chen, Y.L, Wang, A.H.J. | | Deposit date: | 2010-10-20 | | Release date: | 2011-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding
J.Biol.Chem., 286, 2011
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