4Y3O
 
 | | Crystal structure of Ribosomal oxygenase NO66 in complex with substrate Rpl8 peptide and Ni(II) and cofactor N-oxalyglycine | | Descriptor: | ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, GLYCEROL, ... | | Authors: | Wang, C, Zhang, Q, Zang, J. | | Deposit date: | 2015-02-10 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
1YFJ
 | | T4Dam in Complex with AdoHcy and 15-mer Oligonucleotide Showing Semi-specific and Specific Contact | | Descriptor: | 5'-D(*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*G)-3', CALCIUM ION, CHLORIDE ION, ... | | Authors: | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | | Deposit date: | 2005-01-02 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
|
|
1YF3
 | | T4Dam in Complex with AdoHcy and 13-mer Oligonucleotide Making Non- and Semi-specific (~1/4) Contact | | Descriptor: | 5'-D(*AP*CP*CP*AP*TP*GP*AP*TP*CP*TP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*CP*AP*TP*GP*G)-3', DNA adenine methylase, ... | | Authors: | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | | Deposit date: | 2004-12-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
|
|
1YFL
 | | T4Dam in Complex with Sinefungin and 16-mer Oligonucleotide Showing Semi-specific and Specific Contact and Flipped Base | | Descriptor: | 5'-D(P*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*GP*A)-3', DNA adenine methylase, SINEFUNGIN | | Authors: | Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X. | | Deposit date: | 2005-01-03 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
|
|
8TAB
 | | RTA-PD00589 | | Descriptor: | 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ... | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
|
|
8T9V
 | | RTA-RUNT-59 complex structure | | Descriptor: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-26 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
|
|
8TAD
 | | RTA in complex with inhibitor RUNT-206 | | Descriptor: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ... | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
|
|
7DDZ
 | | The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide | | Authors: | Tang, T, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2020-10-30 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
|
|
4LA2
 | | Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION | | Authors: | Zhang, Y, Li, C. | | Deposit date: | 2013-06-19 | | Release date: | 2014-01-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
8QEX
 | |
4LA3
 | |
5IVC
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid) | | Descriptor: | 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
|
|
5IVB
 | |
5IWF
 | |
5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
|
|
5IVF
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol | | Descriptor: | 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.683 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
|
|
5IVV
 | |
5IVE
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) | | Descriptor: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
|
|
7MLG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | Deposit date: | 2021-04-28 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
|
|
7MLF
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | Deposit date: | 2021-04-28 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
|
|
2L83
 | | A protein from Haloferax volcanii | | Descriptor: | Small archaeal modifier protein 1 | | Authors: | Zhang, W, Liao, S, Fan, K, Tu, X. | | Deposit date: | 2011-01-03 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii.
Protein Sci., 22, 2013
|
|
8GNH
 | | Complex structure of BD-218 and Spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BD-218, ... | | Authors: | Wang, B, Xu, H, Su, X.D. | | Deposit date: | 2022-08-23 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Human antibody BD-218 has broad neutralizing activity against concerning variants of SARS-CoV-2.
Int.J.Biol.Macromol., 227, 2023
|
|
8KA8
 | | Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with golden hamster ACE2 (local 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, Angiotensin-converting enzyme, ... | | Authors: | Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F. | | Deposit date: | 2023-08-02 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
|
|
8KC2
 | | Cryo-EM structure of SARS-CoV-2 BA.3 RBD in complex with golden hamster ACE2 (local 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, Angiotensin-converting enzyme, ... | | Authors: | Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F. | | Deposit date: | 2023-08-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
|
|
7E8O
 | |
