7DQT
 
 | | Crystal structure of O6-methylguanine methyltransferase Y91F variant | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | | Authors: | Kikuchi, M, Iizuka, Y, Yamauchi, T, Tsunoda, M. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
|
|
7D5O
 | | C-Src in complex with TAS-120 | | Descriptor: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2020-09-27 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
|
|
7DOB
 | |
7DQE
 | | Crystal structure of the ADP-bound mutant A(S23C)3B(N64C)3 complex from enterococcus hirae V-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Maruyama, S, Nakamoto, K, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, T. | | Deposit date: | 2020-12-23 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.694 Å) | | Cite: | The Combination of High-Speed AFM and X-ray Crystallography Reveals Rotary Catalytic Mechanism of Shaftless V1-ATPase
To Be Published
|
|
7DQD
 | | Crystal structure of the AMP-PNP-bound mutant A(S23C)3B(N64C)3 complex from enterococcus hirae V-ATPase | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, T. | | Deposit date: | 2020-12-23 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.383 Å) | | Cite: | The combination of high-speed AFM and X-ray crystallography reveals rotary catalysis
To Be Published
|
|
7DOA
 | |
7DOQ
 | | Lp major histidine acid phosphatase mutant D281A/5'-AMP | | Descriptor: | Acid phosphatase, PHOSPHATE ION | | Authors: | Guo, Y, Teng, Y. | | Deposit date: | 2020-12-16 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
|
|
7DQC
 | | Crystal structure of nucleotide-free mutant A(S23C)3B(N64C)3 complex from Enterococcus hirae V-ATPase | | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, M. | | Deposit date: | 2020-12-23 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.706 Å) | | Cite: | The combination of high-speed AFM and X-ray crystallography reveals rotary catalytic mechanism of shaftless V1-ATPase
To Be Published
|
|
7DT0
 | | Proline hydroxylase H11-N101I mutant | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ... | | Authors: | Gong, W.G, Yang, L.Y. | | Deposit date: | 2021-01-04 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
To Be Published
|
|
7DQX
 | | Crystal structure of xanthine dehydrogenase family protein | | Descriptor: | 6-hydroxypseudooxynicotine dehydrogenase complex subunit alpha, 6-hydroxypseudooxynicotine dehydrogenase complex subunit beta, 6-hydroxypseudooxynicotine dehydrogenase complex subunit gamma, ... | | Authors: | Lei, W. | | Deposit date: | 2020-12-24 | | Release date: | 2022-01-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | crystal structure of xanthine dehydrogenase family protein
To Be Published
|
|
7DKM
 | | PHGDH covalently linked to oridonin | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2020-11-25 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors.
Cell.Mol.Life Sci., 79, 2021
|
|
7DKI
 | | Silk worm FKBP, isoform-1 | | Descriptor: | GLYCEROL, Peptidylprolyl isomerase | | Authors: | Yuchi, Z, Nayak, B.C. | | Deposit date: | 2020-11-24 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Silk worm FKBP, isoform-1
To Be Published
|
|
7DNT
 | | mRNA-decapping enzyme g5Rp | | Descriptor: | mRNA-decapping protein g5R | | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | | Deposit date: | 2020-12-10 | | Release date: | 2022-03-09 | | Last modified: | 2022-12-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
|
|
7DPI
 | | Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | | Descriptor: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | | Authors: | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | | Deposit date: | 2020-12-19 | | Release date: | 2022-03-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.597 Å) | | Cite: | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development.
Structure, 30, 2022
|
|
7DLD
 | | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-27 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
|
|
3V7M
 | | Crystal structure of monoclonal human anti-Rhesus D Fc IgG1 T125(YB2/0) in the presence of Zn2+ | | Descriptor: | GLYCEROL, IMIDAZOLE, Ig gamma-1 chain C region, ... | | Authors: | Menez, R, Stura, E.A, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | | Deposit date: | 2011-12-21 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions.
Immunol.Lett., 143, 2012
|
|
3LTH
 | | E. cloacae MurA dead-end complex with UNAG and fosfomycin | | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | | Authors: | Schonbrunn, E. | | Deposit date: | 2010-02-15 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
|
|
3V97
 | |
4P8C
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Neres, J, Pojer, F, Cole, S.T. | | Deposit date: | 2014-03-31 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
3VKM
 | | Protease-resistant mutant form of Human Galectin-8 in complex with sialyllactose and lactose | | Descriptor: | 1,2-ETHANEDIOL, Galectin-8, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Yoshida, H, Yamashita, S, Teraoka, M, Nakakita, S, Nishi, N, Kamitori, S. | | Deposit date: | 2011-11-18 | | Release date: | 2012-09-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | X-ray structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Febs J., 279, 2012
|
|
4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
|
|
4PF9
 | | Crystal structure of insulin degrading enzyme complexed with inhibitor | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate | | Authors: | Wang, Y, Guo, S. | | Deposit date: | 2014-04-28 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
|
|
3LCW
 | | L-KDO aldolase complexed with hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, N-acetylneuraminate lyase, SULFATE ION | | Authors: | Chou, C.-Y, Wang, A.H.-J, Ko, T.-P. | | Deposit date: | 2010-01-12 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
To be Published
|
|
4P8M
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 | | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Neres, J, Pojer, F, Cole, S.T. | | Deposit date: | 2014-03-31 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
|
|
3V8C
 | | Crystal structure of monoclonal human anti-rhesus D Fc IgG1 t125(yb2/0) double mutant (H310 and H435 in K) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, GLYCEROL, ... | | Authors: | Menez, R, Stura, E.A, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | | Deposit date: | 2011-12-22 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions.
Immunol.Lett., 143, 2012
|
|
