8Q71
 
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
|
|
8Q3Y
 | |
1BJR
 | | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | | Descriptor: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | | Authors: | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | | Deposit date: | 1998-06-27 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998
|
|
8Q85
 | |
1BM3
 | | IMMUNOGLOBULIN OPG2 FAB-PEPTIDE COMPLEX | | Descriptor: | IMMUNOGLOBULIN OPG2 FAB, CONSTANT DOMAIN, VARIABLE DOMAIN | | Authors: | Kodandapani, R, Veerapandian, L, Ni, C.Z, Chiou, C.-K, Whital, R, Kunicki, T.J, Ely, K.R. | | Deposit date: | 1999-04-15 | | Release date: | 1999-04-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational change in an anti-integrin antibody: structure of OPG2 Fab bound to a beta 3 peptide.
Biochem.Biophys.Res.Commun., 251, 1998
|
|
8PFH
 | | Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10 | | Descriptor: | CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ... | | Authors: | Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T. | | Deposit date: | 2023-06-16 | | Release date: | 2023-12-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity.
Commun Biol, 7, 2024
|
|
8Q77
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780 | | Descriptor: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.255 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
1BSS
 | | ECORV-T93A/DNA/CA2+ | | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3', CALCIUM ION, ECORV ENDONUCLEASE | | Authors: | Perona, J.J, Horton, N.C. | | Deposit date: | 1998-08-30 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Metal ion-mediated substrate-assisted catalysis in type II restriction endonucleases
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
8Q84
 | |
1BUA
 | |
8Q9S
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha', ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | | Deposit date: | 2023-08-21 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
8PZ3
 | |
8PUY
 | | TEAD2 with a covalent inhibitor | | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
|
|
8Q6M
 | | Human SOD1 low dose data collecton | | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | | Deposit date: | 2023-08-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
|
|
8Q6F
 | |
8Q7I
 | |
8PHB
 | | Crystal structure of apo Cami1 | | Descriptor: | CRISPR-associated protein, APE2256 family | | Authors: | Tamulaitiene, G, Tamulaitis, G, Mogila, I, Keda, K. | | Deposit date: | 2023-06-19 | | Release date: | 2023-12-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Ribosomal stalk-captured CARF-RelE ribonuclease inhibits translation following CRISPR signaling.
Science, 382, 2023
|
|
6Y0J
 | |
7QNC
 | | Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
|
|
8Q6S
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
|
|
8Q6G
 | | HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ... | | Authors: | Somers, D.O. | | Deposit date: | 2023-08-11 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
|
|
7QN5
 | | Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with nanobody Nb25 | | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
|
|
8PUX
 | | TEAD2 with a covalent inhibitor | | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
|
|
8Q6H
 | | HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 11) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ... | | Authors: | Somers, D.O. | | Deposit date: | 2023-08-11 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
|
|
7QN7
 | | Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with GABA, histamine and nanobody Nb25 | | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
|
|
