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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6U1F
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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6HVL
 | | CdaA complex with c-di-AMP and AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE MONOPHOSPHATE, COBALT (II) ION, ... | | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | | Deposit date: | 2018-10-11 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the c-di-AMP-synthesizing enzyme CdaA.
J.Biol.Chem., 294, 2019
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6TV3
 | | HumRadA1 in complex with 3-amino-2-naphthoic acid | | Descriptor: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | | Authors: | Marsh, M.E, Hyvonen, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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6HXQ
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6HPQ
 | | Crystal structure of human Pif1 helicase in complex with AMP-PNP, brominated crystal form. | | Descriptor: | ATP-dependent DNA helicase PIF1, BROMIDE ION, MAGNESIUM ION, ... | | Authors: | Ledikov, V.M, Dehghani-Tafti, S, Bax, B, Sanders, C.M, Antson, A.A. | | Deposit date: | 2018-09-21 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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4YVM
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7CEB
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6U5G
 | | MicroED structure of a FIB-milled CypA Crystal | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
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5I05
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5I1A
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-11 | | Descriptor: | ACETATE ION, CNTO388 HEAVY CHAIN, CNTO388 LIGHT CHAIN, ... | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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6U59
 | | HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ... | | Authors: | Yang, Y.R, Ward, A.B. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020
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7CFE
 | | Crystal structure of RsmG methyltransferase of M. tuberculosis | | Descriptor: | ISOPROPYL ALCOHOL, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase G, ... | | Authors: | Bijpuria, S, Maurya, A, Kumar, P, Sharma, R, Taneja, B. | | Deposit date: | 2020-06-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structure of RsmG methyltransferase of M. tuberculosis
To Be Published
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6UFP
 | | Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE | | Descriptor: | (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Campbell, A.C, Tanner, J.J. | | Deposit date: | 2019-09-24 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
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7CJX
 | | UDP-glucuronosyltransferase 2B15 C-terminal domain-L446S | | Descriptor: | L(+)-TARTARIC ACID, UDP-glucuronosyltransferase 2B15 | | Authors: | Wang, C.Y, Zhang, L. | | Deposit date: | 2020-07-14 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.986414 Å) | | Cite: | Structure of UDP-glucuronosyltransferase 2B15 C-terminal domain L446S at 1.99 Angstroms resolution
To Be Published
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6KGA
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4WX6
 | | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | | Deposit date: | 2014-11-13 | | Release date: | 2015-01-14 | | Last modified: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
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5H49
 | | Crystal structure of Cbln1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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4X18
 | | [Ru(TAP)2(dppz-11-Me)]2+ bound to d(TCGGCGCCGA) | | Descriptor: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, CHLORIDE ION, ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2014-11-24 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
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4X1A
 | | Lambda-[Ru(TAP)2(dppz-10,12-Me)]2+ bound to d(TCGGCGCCGA) | | Descriptor: | (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3') | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2014-11-24 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
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7COK
 | | Crystal structure of ligand-free form of 5-ketofructose reductase of Gluconobacter sp. strain CHM43 | | Descriptor: | 5-ketofructose reductase | | Authors: | Noda, S, Hodoya, Y, Nguyen, T.M, Kataoka, N, Adachi, O, Matsutani, M, Matsushita, K, Yakushi, T, Goto, M. | | Deposit date: | 2020-08-04 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 5-Ketofructose Reductase of Gluconobacter sp. Strain CHM43 Is a Novel Class in the Shikimate Dehydrogenase Family.
J.Bacteriol., 203, 2021
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6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | Deposit date: | 2019-08-13 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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6KNK
 | | Crystal structure of SbnH in complex with citryl-diaminoethane | | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6U0C
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7COL
 | | Crystal structure of 5-ketofructose reductase complexed with NADPH | | Descriptor: | 5-ketofructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hodoya, Y, Noda, S, Nguyen, T.M, Kataoka, N, Adachi, O, Matsutani, M, Matsushita, K, Yakushi, T, Goto, M. | | Deposit date: | 2020-08-04 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The 5-Ketofructose Reductase of Gluconobacter sp. Strain CHM43 Is a Novel Class in the Shikimate Dehydrogenase Family.
J.Bacteriol., 203, 2021
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