6R6J
 
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
|
|
7ZS4
 | |
7TMU
 | | Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-20 | | Release date: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis
To Be Published
|
|
6GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-13 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
|
|
5JZD
 | | A re-refinement of the isochorismate synthase EntC | | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION | | Authors: | Meneely, K.M, Lamb, A.L. | | Deposit date: | 2016-05-16 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
|
|
8PF2
 | |
7ZT6
 | |
6GJF
 | | Ancestral endocellulase Cel5A | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ... | | Authors: | Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N. | | Deposit date: | 2018-05-16 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
|
|
6RCH
 | | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-11 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
To Be Published
|
|
7QDF
 | | Hexameric HIV-1 (M-group) CA R120 mutant | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ... | | Authors: | Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
|
|
5K12
 | | Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution | | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (1.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
|
|
4X55
 | | Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
|
|
8PWB
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
|
|
8PW9
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1) | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
|
|
5GG5
 | | Crystal structure of Mycobacterium smegmatis MutT1 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydrolase, ... | | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | | Deposit date: | 2016-06-15 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
|
|
7ZMY
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 in the presence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7ZN0
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 8.2 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
|
|
6GMG
 | | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ... | | Authors: | Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A. | | Deposit date: | 2018-05-25 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
FEBS J., 285, 2018
|
|
7ZVZ
 | |
7ZN3
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the L state at pH 8.2 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7ZVT
 | | CryoEM structure of Ku heterodimer bound to DNA | | Descriptor: | DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*TP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K. | | Deposit date: | 2022-05-17 | | Release date: | 2023-05-24 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
|
|
7QVI
 | | Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
|
|
5N13
 | | Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form | | Descriptor: | Bromodomain-containing factor 1, GLYCEROL | | Authors: | Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | Deposit date: | 2017-02-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
|
|
5T7V
 | | Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M. | | Deposit date: | 2016-09-06 | | Release date: | 2017-05-31 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
|
|
7ZN9
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
|
|
