1I72
| HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-07 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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2VNU
| Crystal structure of Sc Rrp44 | Descriptor: | 5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP)-3', EXOSOME COMPLEX EXONUCLEASE RRP44, MAGNESIUM ION, ... | Authors: | Lorentzen, E, Basquin, J, Conti, E. | Deposit date: | 2008-02-07 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Active Subunit of the Yeast Exosome Core, Rrp44: Diverse Modes of Substrate Recruitment in the Rnase II Nuclease Family Mol.Cell, 29, 2008
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1I7C
| HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | Descriptor: | 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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8P1G
| Crystal structure of inactive TtCE16 in complex with acetate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | Deposit date: | 2023-05-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
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7DUJ
| Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''Bz bound | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, ... | Authors: | DeMirci, H, Destan, E. | Deposit date: | 2021-01-09 | Release date: | 2022-01-12 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''Bz bound to be published
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6ZDR
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | Deposit date: | 2020-06-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists. Angew.Chem.Int.Ed.Engl., 59, 2020
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6QBS
| The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | Deposit date: | 2018-12-21 | Release date: | 2019-02-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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8CH4
| Crystal structure of the ring cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. | Descriptor: | 5-nitrosalicylic acid 1,2-dioxygenase, FE (III) ION | Authors: | Ferraroni, M, Stolz, A, Eppinger, E. | Deposit date: | 2023-02-07 | Release date: | 2023-07-05 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. Acta Crystallogr D Struct Biol, 79, 2023
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8G0I
| High Affinity nanobodies against GFP | Descriptor: | CHLORIDE ION, Green fluorescent protein, LaG24 Nanobody, ... | Authors: | Ketaren, N.E, Rout, M.P, Almo, S. | Deposit date: | 2023-01-31 | Release date: | 2024-03-20 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique Binding and Stabilization Mechanisms Employed By and Engineered Into Nanobodies Biorxiv, 2023
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6QDI
| anti-sigma factor domain-containing protein from Clostridium clariflavum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | Deposit date: | 2019-01-01 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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8C8T
| cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with bNAbs EPTC112 and 3BNC117 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Baquero, E, Molinos-Albert, L, Mouquet, H. | Deposit date: | 2023-01-21 | Release date: | 2023-07-05 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Anti-V1/V3-glycan broadly HIV-1 neutralizing antibodies in a post-treatment controller. Cell Host Microbe, 31, 2023
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3IAQ
| E. coli (lacz) beta-galactosidase (E416V) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | Deposit date: | 2009-07-14 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
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2W05
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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1PKZ
| Crystal structure of human glutathione transferase (GST) A1-1 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Glutathione S-transferase A1 | Authors: | Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B. | Deposit date: | 2003-06-06 | Release date: | 2004-06-22 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix. Acta Crystallogr.,Sect.D, 62, 2006
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6ZJD
| Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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6QF3
| X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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8OJ6
| HSV-1 DNA polymerase-processivity factor complex in pre-translocation state | Descriptor: | DNA (22-MER), DNA (48-MER), DNA polymerase catalytic subunit, ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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5YMR
| The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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5A7W
| Crystal structure of human JMJD2A in complex with compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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6ZLF
| Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton | Descriptor: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ... | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | Deposit date: | 2020-06-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase. Chem.Commun.(Camb.), 56, 2020
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6ZCV
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1I79
| HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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2VNZ
| Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A. | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
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6ZHJ
| 3D electron diffraction structure of thermolysin from Bacillus thermoproteolyticus | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P. | Deposit date: | 2020-06-23 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (3.26 Å) | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals. Acta Crystallogr D Struct Biol, 77, 2021
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6SW9
| IC2A model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.-D, Mechulam, Y, Schmitt, E. | Deposit date: | 2019-09-20 | Release date: | 2020-02-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation. Commun Biol, 3, 2020
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