4MLF
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![BU of 4mlf by Molmil](/molmil-images/mine/4mlf) | Crystal structure for the complex of thrombin mutant D102N and hirudin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... | Authors: | Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2013-09-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Essential role of conformational selection in ligand binding. Biophys.Chem., 186C, 2014
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5AWU
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![BU of 5awu by Molmil](/molmil-images/mine/5awu) | |
5I66
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![BU of 5i66 by Molmil](/molmil-images/mine/5i66) | X-ray structure of the Fab fragment of 8B6, a murine monoclonal antibody specific for the human serotonin transporter | Descriptor: | 8B6 antibody, heavy chain, light chain | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.624 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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8PVP
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![BU of 8pvp by Molmil](/molmil-images/mine/8pvp) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-18 | Release date: | 2023-09-20 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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3X2U
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![BU of 3x2u by Molmil](/molmil-images/mine/3x2u) | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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6E4R
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![BU of 6e4r by Molmil](/molmil-images/mine/6e4r) | Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9B | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | Deposit date: | 2018-07-18 | Release date: | 2018-09-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | A molecular switch orchestrates enzyme specificity and secretory granule morphology. Nat Commun, 9, 2018
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8CK1
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![BU of 8ck1 by Molmil](/molmil-images/mine/8ck1) | Carin 1 bacteriophage tail, connector and tail fibers assembly | Descriptor: | Connector Protein, Tail Nozzle, Tail fibers Dpo36 | Authors: | d'Acapito, A, Neumann, E, Schoehn, G. | Deposit date: | 2023-02-14 | Release date: | 2023-03-15 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM. J.Virol., 97, 2023
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1U7U
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![BU of 1u7u by Molmil](/molmil-images/mine/1u7u) | Phosphopantothenoylcysteine synthetase from E. coli | Descriptor: | Coenzyme A biosynthesis bifunctional protein coaBC | Authors: | Stanitzek, S, Augustin, M.A, Huber, R, Kupke, T, Steinbacher, S. | Deposit date: | 2004-08-04 | Release date: | 2004-11-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of CTP-Dependent Peptide Bond Formation in Coenzyme A Biosynthesis Catalyzed by Escherichia coli PPC Synthetase STRUCTURE, 12, 2004
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6XSB
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![BU of 6xsb by Molmil](/molmil-images/mine/6xsb) | |
6E50
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4MPU
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![BU of 4mpu by Molmil](/molmil-images/mine/4mpu) | Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide | Descriptor: | (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... | Authors: | White, A, Stein, A.J, Suto, R.K. | Deposit date: | 2013-09-13 | Release date: | 2015-03-18 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase. Acs Med.Chem.Lett., 9, 2018
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3ZKN
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![BU of 3zkn by Molmil](/molmil-images/mine/3zkn) | BACE2 FAB INHIBITOR COMPLEX | Descriptor: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | Deposit date: | 2013-01-23 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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6E4Q
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![BU of 6e4q by Molmil](/molmil-images/mine/6e4q) | Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9A in Complex with UDP and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | Deposit date: | 2018-07-18 | Release date: | 2018-09-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | A molecular switch orchestrates enzyme specificity and secretory granule morphology. Nat Commun, 9, 2018
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1UAQ
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![BU of 1uaq by Molmil](/molmil-images/mine/1uaq) | The crystal structure of yeast cytosine deaminase | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, ZINC ION, cytosine deaminase | Authors: | Ko, T.-P, Lin, J.-J, Hu, C.-Y, Hsu, Y.-H, Wang, A.H.-J, Liaw, S.-H. | Deposit date: | 2003-03-14 | Release date: | 2003-04-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of yeast cytosine deaminase. Insights into enzyme mechanism and evolution J.Biol.Chem., 278, 2003
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6E55
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6E21
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![BU of 6e21 by Molmil](/molmil-images/mine/6e21) | Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Kovalevsky, A, Gerlits, O.O, Taylor, S. | Deposit date: | 2018-07-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Sci Adv, 5, 2019
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8PVO
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![BU of 8pvo by Molmil](/molmil-images/mine/8pvo) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 | Descriptor: | 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-18 | Release date: | 2023-09-20 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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3WZO
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![BU of 3wzo by Molmil](/molmil-images/mine/3wzo) | Crystal structure of the core streptavidin mutant V21 (Y22S/N23D/S27D/Y83S/R84K/E101D/R103K/E116N) complexed with biotin long tail (BTNtail) at 1.5 A resolution | Descriptor: | 6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid, CADMIUM ION, GLYCEROL, ... | Authors: | Kawato, T, Mizohata, E, Shimizu, Y, Meshizuka, T, Yamamoto, T, Takasu, N, Matsuoka, M, Matsumura, H, Tsumoto, K, Kodama, T, Kanai, M, Doi, H, Inoue, T, Sugiyama, A. | Deposit date: | 2014-10-01 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of a streptavidin mutant specific for an artificial biotin analogue. J.Biochem., 157, 2015
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3ZJZ
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![BU of 3zjz by Molmil](/molmil-images/mine/3zjz) | Open-form NavMS Sodium Channel Pore (with C-terminal Domain) | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, ION TRANSPORT PROTEIN, ... | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | Deposit date: | 2013-01-21 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Role of the C-Terminal Domain in the Structure and Function of Tetrameric Sodium Channels. Nat.Commun., 4, 2013
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8CQX
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![BU of 8cqx by Molmil](/molmil-images/mine/8cqx) | Ribokinase from T.sp mutant A92G | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | Deposit date: | 2023-03-07 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Ribokinase from T.sp mutant A92G To Be Published
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3X1O
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![BU of 3x1o by Molmil](/molmil-images/mine/3x1o) | Crystal structure of the ROQ domain of human Roquin | Descriptor: | IODIDE ION, Roquin-1 | Authors: | Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y. | Deposit date: | 2014-11-26 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis Nat Commun, 6, 2015
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8PG0
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![BU of 8pg0 by Molmil](/molmil-images/mine/8pg0) | Human OATP1B3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ... | Authors: | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2023-06-17 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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5WAH
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![BU of 5wah by Molmil](/molmil-images/mine/5wah) | SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN | Descriptor: | IgA FC receptor | Authors: | ELETSKY, A, CHEN, C, FONG, J.J, NIZET, V, VARKI, A, PRESTEGARD, J.H. | Deposit date: | 2017-06-26 | Release date: | 2018-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN To Be Published
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8PHW
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![BU of 8phw by Molmil](/molmil-images/mine/8phw) | Human OATP1B1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ... | Authors: | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2023-06-20 | Release date: | 2023-09-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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7Z0W
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![BU of 7z0w by Molmil](/molmil-images/mine/7z0w) | E. coli NfsA bound to NADP+ | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | Deposit date: | 2022-02-23 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism. Febs Lett., 596, 2022
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