8UUW
 
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUF
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | | Descriptor: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | | Authors: | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-01 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUY
 | | SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UVM
 | | SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313 | | Descriptor: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ... | | Authors: | Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-03 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUV
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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6PAI
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6JUX
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | | Descriptor: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
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5TBM
 | | Crystal structure of PT2385 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2016-09-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Small-Molecule Antagonist of HIF2 alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma.
Cancer Res., 76, 2016
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8DDI
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8DDM
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3P17
 | | Thrombin Inhibition by Pyridin Derivatives | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2010-09-30 | | Release date: | 2011-11-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
J.Mol.Biol., 418, 2012
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2RVD
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2SNS
 | | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | | Deposit date: | 1982-05-14 | | Release date: | 1982-07-29 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: |
Thesis, Texas Agricultural and Mechanical University, 1977
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4BHK
 | | Crystal Structure of Moss Leafy bound to DNA | | Descriptor: | FLORICAULA/LEAFY HOMOLOG 1, MOSS-CR54 DNA | | Authors: | Nanao, M.H, Sayou, C, Dumas, R, Parcy, F. | | Deposit date: | 2013-04-03 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A Promiscuous Intermediate Underlies the Evolution of Leafy DNA Binding Specificity.
Science, 343, 2014
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6K36
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6K37
 | | Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | | Descriptor: | (3R)-3-[(1R)-1-azanylethyl]nonanedioic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Slr0355 protein | | Authors: | Sakaki, K, Tomita, T, Nishiyama, M. | | Deposit date: | 2019-05-16 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
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6K38
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8ZVI
 | | Structure of the bacteriophage T5 capsid | | Descriptor: | Decoration protein, Major capsid protein | | Authors: | Peng, Y, Liu, H.R. | | Deposit date: | 2024-06-11 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
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8VH4
 | | Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 monomer state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ... | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024
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8VH5
 | | Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 dimer state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ... | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024
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6AKF
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1J1D
 | | Crystal structure of the 46kDa domain of human cardiac troponin in the Ca2+ saturated form | | Descriptor: | CALCIUM ION, Troponin C, Troponin I, ... | | Authors: | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | | Deposit date: | 2002-12-03 | | Release date: | 2003-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form
Nature, 424, 2003
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7RN0
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7RN1
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