7PPS
 
 | | apo FabB from Pseudomonas aeruginosa with single point mutation C161A | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... | | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V. | | Deposit date: | 2021-09-15 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of Pseudomonas aeruginosa FabB C161A, a template for structure-based design for new antibiotics.
F1000Res, 10, 2021
|
|
6AYR
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
|
|
6XNW
 | | Crystal structure of V39A mutant of human CEACAM1 | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1, NICKEL (II) ION | | Authors: | Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S. | | Deposit date: | 2020-07-04 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
|
|
6EKE
 | |
7K4O
 | | Tannin acyl hydrolase from Aspergillus niger | | Descriptor: | 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ren, B. | | Deposit date: | 2020-09-15 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of fungal tannase from Aspergillus niger.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
8PJD
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 | | Descriptor: | ACETATE ION, Protein arginine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2023-06-23 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445
To Be Published
|
|
8PJR
 | |
7JT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 | | Descriptor: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
|
|
7PCP
 | |
8PJY
 | |
5ESG
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-11-16 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
|
|
7ZGF
 | |
8PM7
 | |
7PMU
 | | Crystal structure of native Iripin-8 | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ... | | Authors: | Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A. | | Deposit date: | 2021-09-02 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement.
Int J Mol Sci, 22, 2021
|
|
6XO1
 | | Crystal structure of N97A mutant of human CEACAM1 | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID | | Authors: | Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S. | | Deposit date: | 2020-07-05 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.758 Å) | | Cite: | Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
|
|
5EJ8
 | | EcMenD-ThDP-Mn2+ complex structure soaked with 2-ketoglutarate for 2 min | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
|
|
6XBF
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G | | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6BA4
 | | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | Deposit date: | 2017-10-12 | | Release date: | 2018-08-01 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
|
|
5THQ
 | |
8PMC
 | |
7ZGH
 | |
6XBE
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ZGG
 | |
8PT5
 | | ERK2 covelently bound to RU187 cyclohexenone based inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
|
|
6BAB
 | | The structure of human CamKII with bound inhibitor | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | | Authors: | Somoza, J.R, Villasenor, A.G. | | Deposit date: | 2017-10-12 | | Release date: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | TBD
To Be Published
|
|
