8A2C
| The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET). Febs J., 291, 2024
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3BC5
| X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | Descriptor: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Muckelbauer, J.K. | Deposit date: | 2007-11-12 | Release date: | 2008-11-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists. Bioorg.Med.Chem.Lett., 19, 2009
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5YAT
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8X5D
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4KBQ
| Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains | Descriptor: | E3 ubiquitin-protein ligase CHIP, Heat shock cognate 71 kDa protein | Authors: | Page, R.C, Amick, J, Nix, J.C, Misra, S. | Deposit date: | 2013-04-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | A Bipartite Interaction between Hsp70 and CHIP Regulates Ubiquitination of Chaperoned Client Proteins. Structure, 23, 2015
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6XP5
| Head-Middle module of Mediator | Descriptor: | HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Zhang, H.Q, Chen, D.C, Kornberg, R.D. | Deposit date: | 2020-07-08 | Release date: | 2021-03-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mediator structure and conformation change. Mol.Cell, 81, 2021
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5WYS
| luciferase with inhibitor 3i | Descriptor: | 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase | Authors: | Gu, L, Su, J, Wang, F. | Deposit date: | 2017-01-15 | Release date: | 2017-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Inhibiting Firefly Bioluminescence by Chalcones Anal. Chem., 89, 2017
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6WNK
| Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome | Descriptor: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ... | Authors: | Hsu, H.C, Li, H. | Deposit date: | 2020-04-22 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J.Med.Chem., 64, 2021
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6UCG
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5YH3
| The structure of hFam20C and hFam20A complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Extracellular serine/threonine protein kinase FAM20C, Pseudokinase FAM20A | Authors: | Zhu, Q, Xiao, J. | Deposit date: | 2017-09-27 | Release date: | 2018-04-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure and evolution of the Fam20 kinases Nat Commun, 9, 2018
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7XLB
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5U1J
| Structure of pNOB8 ParA bound to nonspecific DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*GP*TP*AP*AP*TP*GP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*CP*AP*TP*GP*AP*CP*AP*CP*G)-3'), PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Schumacher, M.A. | Deposit date: | 2016-11-28 | Release date: | 2017-04-19 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structures of partition protein ParA with nonspecific DNA and ParB effector reveal molecular insights into principles governing Walker-box DNA segregation. Genes Dev., 31, 2017
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5U1G
| Structure of TP228 ParA-AMPPNP-ParB complex | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ParA, TP228 ParB fragment | Authors: | Schumacher, M.A. | Deposit date: | 2016-11-28 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | Structures of partition protein ParA with nonspecific DNA and ParB effector reveal molecular insights into principles governing Walker-box DNA segregation. Genes Dev., 31, 2017
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8HYJ
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7EBO
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7FJ2
| Structure of FOXM1 homodimer bound to a palindromic DNA site | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1 | Authors: | Dai, S.Y, Li, J, Zhang, H.J. | Deposit date: | 2021-08-02 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.098 Å) | Cite: | Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1. J.Mol.Biol., 434, 2021
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3RBQ
| Co-crystal structure of human UNC119 (retina gene 4) and an N-terminal Transducin-alpha mimicking peptide | Descriptor: | Guanine nucleotide-binding protein G(t) subunit alpha-1, Protein unc-119 homolog A | Authors: | Constantine, R, Whitby, F.G, Hill, C.P, Baehr, W. | Deposit date: | 2011-03-29 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | UNC119 is required for G protein trafficking in sensory neurons. Nat.Neurosci., 14, 2011
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7JMN
| Tail module of Mediator complex | Descriptor: | MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ... | Authors: | Zhang, H.Q, Chen, D.C. | Deposit date: | 2020-08-02 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Mediator structure and conformation change. Mol.Cell, 81, 2021
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8JQJ
| Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor | Descriptor: | Aldehyde reductase 2 | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2023-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer Acs Catalysis, 13, 2023
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8JQK
| Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor | Descriptor: | Aldehyde reductase 2 | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2023-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer Acs Catalysis, 13, 2023
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7F4W
| Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope pep4 | Authors: | Deng, S, Jin, T. | Deposit date: | 2021-06-21 | Release date: | 2021-08-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants. Cell Rep, 36, 2021
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7EU2
| Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope S1 | Authors: | Deng, S, Jin, T. | Deposit date: | 2021-05-15 | Release date: | 2021-08-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants. Cell Rep, 36, 2021
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7W1M
| Cryo-EM structure of human cohesin-CTCF-DNA complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit SA-1, ... | Authors: | Shi, Z.B, Bai, X.C, Yu, H. | Deposit date: | 2021-11-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | CTCF and R-loops are boundaries of cohesin-mediated DNA looping. Mol.Cell, 83, 2023
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8JB4
| lipopolysaccharide-binding domain-LBDB | Descriptor: | Antilipopolysaccharide factor D | Authors: | Huang, J, Qin, Z. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides To Be Published
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5S9R
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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