7K5R
 
 | | Bst DNA polymerase I time-resolved structure, 120 min post dATP addition | | Descriptor: | DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I, ... | | Authors: | Chim, N, Meza, R.A, Trinh, A.M, Chaput, J.C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Following replicative DNA synthesis by time-resolved X-ray crystallography.
Nat Commun, 12, 2021
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7K5Q
 | | Bst DNA polymerase I time-resolved structure, 8 min post dATP addition | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(P*G*CP*GP*AP*TP*CP*AP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Chim, N, Meza, R.A, Trinh, A.M, Chaput, J.C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Following replicative DNA synthesis by time-resolved X-ray crystallography.
Nat Commun, 12, 2021
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7K5T
 | | Bst DNA polymerase I time-resolved structure, 25.5 hr post dATP and dCTP addition | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*C)-3'), ... | | Authors: | Chim, N, Meza, R.A, Trinh, A.M, Chaput, J.C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Following replicative DNA synthesis by time-resolved X-ray crystallography.
Nat Commun, 12, 2021
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7L05
 | | Complex of novel maytansinoid M24 bound to T2R-TTL (two tubulin alpha/beta heterodimers, RB3 stathmin-like domain, and tubulin tyrosine ligase) | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Franklin, M.C. | | Deposit date: | 2020-12-11 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | A Biparatopic Antibody-Drug Conjugate to Treat MET-Expressing Cancers, Including Those that Are Unresponsive to MET Pathway Blockade.
Mol.Cancer Ther., 20, 2021
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7D7L
 | | The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 | | Descriptor: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7D7K
 | | The crystal structure of SARS-CoV-2 papain-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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5FD2
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7DVW
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVP
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7E5X
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6K3H
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4RBW
 | | Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | | Descriptor: | CHLORIDE ION, Defensin-5, SULFATE ION | | Authors: | Pazgier, M, Gohain, N, Tolbert, W.D. | | Deposit date: | 2014-09-13 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
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4RBX
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7VH8
 | | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Zhao, Y, Zhang, Q, Yang, H, Rao, Z. | | Deposit date: | 2021-09-21 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
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7VAH
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6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2019-09-23 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.45 Å) | | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LN1
 | | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | | Descriptor: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C. | | Deposit date: | 2019-12-28 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
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6DUM
 | | ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2018-06-21 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
J.Med.Chem., 61, 2018
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8J1V
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8J1T
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8I8C
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