5HCK
| HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HEMATOPOIETIC CELL KINASE | Authors: | Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A. | Deposit date: | 1998-03-09 | Release date: | 1998-06-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the human Hck SH3 domain and identification of its ligand binding site. J.Mol.Biol., 278, 1998
|
|
2C13
| 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
|
|
5I78
| Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
|
|
2BTN
| Crystal Structure and Catalytic Mechanism of the Quorum-Quenching N- Acyl Homoserine Lactone Hydrolase | Descriptor: | AIIA-LIKE PROTEIN, GLYCEROL, ZINC ION | Authors: | Kim, M.H, Choi, W.C, Kang, H.O, Lee, J.S, Kang, B.S, Kim, K.J, Derewenda, Z.S, Oh, T.K, Lee, C.H, Lee, J.K. | Deposit date: | 2005-06-03 | Release date: | 2005-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Molecular Structure and Catalytic Mechanism of a Quorum-Quenching N-Acyl-L-Homoserine Lactone Hydrolase. Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
6QJE
| Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole To Be Published
|
|
2BNN
| |
6PUG
| Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U | Descriptor: | 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
5I83
| Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
|
|
3MPM
| LCK complexed with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, 4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol, Tyrosine-protein kinase Lck | Authors: | Cowan-Jacob, S.W, Rummel, G. | Deposit date: | 2010-04-27 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck. Bioorg.Med.Chem.Lett., 20, 2010
|
|
1ITH
| STRUCTURE DETERMINATION AND REFINEMENT OF HOMOTETRAMERIC HEMOGLOBIN FROM URECHIS CAUPO AT 2.5 ANGSTROMS RESOLUTION | Descriptor: | CYANIDE ION, HEMOGLOBIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hackert, M, Kolatkar, P, Ernst, S.R, Ogata, C.M, Hendrickson, W.A, Merritt, E.A, Phizackerley, R.P. | Deposit date: | 1991-12-03 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure determination and refinement of homotetrameric hemoglobin from Urechis caupo at 2.5 A resolution. Acta Crystallogr.,Sect.B, 48, 1992
|
|
7SXR
| Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
3DL6
| Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | Authors: | Martucci, W.E, Vargo, M.A, Anderson, K.S. | Deposit date: | 2008-06-26 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
|
|
7SXT
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SY7
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417T mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXS
| Cryo-EM structure of the SARS-CoV-2 D614G,L452R mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SY3
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SY1
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXZ
| Cryo-EM structure of the SARS-CoV-2 D614G,L452R mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXW
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417T mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXV
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417N mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXU
| Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
7SXX
| Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | Deposit date: | 2021-11-24 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding. Cell Rep, 37, 2021
|
|
5I79
| Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
|
|
6Q90
| Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-16 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea To Be Published
|
|
6AEJ
| Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
|
|