8GPD
| Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
|
|
6BHH
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
|
|
4EG8
| Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89 | Descriptor: | 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
|
|
8UYP
| SARS-CoV-1 5' proximal stem-loop 5 | Descriptor: | SARS-CoV-1 5' proximal stem-loop 5 | Authors: | Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R. | Deposit date: | 2023-11-13 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8V5M
| Tetramer core subcomplex (conformation 1) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ... | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-11-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (9.22 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
1G7B
| 1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2000-11-09 | Release date: | 2001-08-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Phase changes in T(3)R(3)(f) human insulin: temperature or pressure induced? Acta Crystallogr.,Sect.D, 57, 2001
|
|
8V6J
| DNA elongation complex (configuration 2) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-12-01 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (11.11 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
5TSU
| Active conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine | Descriptor: | CYSTEINE, Cystathionine gamma-lyase, METHIONINE, ... | Authors: | Yan, W, Zhang, Y. | Deposit date: | 2016-10-31 | Release date: | 2017-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site. Biochemistry, 56, 2017
|
|
8V5O
| Tetramer core subcomplex (conformation 3) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ... | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-11-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (8.99 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
1G0Q
| CRYSTAL STRUCTURE OF T4 LYSOZYME MUTANT V149I | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | Authors: | Xu, J, Baase, W.A, Quillin, M.L, Matthews, B.W. | Deposit date: | 2000-10-06 | Release date: | 2001-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme. Protein Sci., 10, 2001
|
|
8GPC
| Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
|
|
8V5N
| Tetramer core subcomplex (conformation 2) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ... | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-11-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (8.56 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
1K9S
| PURINE NUCLEOSIDE PHOSPHORYLASE FROM E. COLI IN COMPLEX WITH FORMYCIN A DERIVATIVE AND PHOSPHATE | Descriptor: | 2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, ... | Authors: | Koellner, G, Bzowska, A, Wielgus-Kutrowska, B, Luic, M, Steiner, T, Saenger, W, Stepinski, J. | Deposit date: | 2001-10-30 | Release date: | 2001-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Open and closed conformation of the E. coli purine nucleoside phosphorylase active center and implications for the catalytic mechanism. J.Mol.Biol., 315, 2002
|
|
8V6I
| DNA elongation complex (configuration 1) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-12-01 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (14.06 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
8V6G
| DNA initiation complex (configuration 1) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-12-01 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (11.16 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
3M84
| Crystal Structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-03-17 | Release date: | 2010-07-14 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Crystal Structure of Phosphoribosylaminoimidazole Synthetase from
Francisella tularensis To be Published
|
|
6HED
| PAN-proteasome in state 5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | Deposit date: | 2018-08-20 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.95 Å) | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
7RLS
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68 | Descriptor: | 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
8V6H
| DNA initiation complex (configuration 2) of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ... | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | Deposit date: | 2023-12-01 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (11.11 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
|
|
6BHE
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
|
|
8GPE
| Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
|
|
7RNK
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71 | Descriptor: | 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-29 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
3I2E
| Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
|
|
4H19
| Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop | Descriptor: | (2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-10 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop To be Published
|
|
7RM2
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1 | Descriptor: | 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|