4REC
 
 | | A nuclease-DNA complex form 3 | | Descriptor: | DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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7Z9T
 | | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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166L
 | | CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Blaber, M, Matthews, B.W. | | Deposit date: | 1994-06-20 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
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6QQP
 | | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2) | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | | Deposit date: | 2019-02-18 | | Release date: | 2020-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
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4QVB
 | | Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... | | Authors: | Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. | | Deposit date: | 2014-07-14 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
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7AQR
 | | Cryo-EM structure of Arabidopsis thaliana Complex-I (peripheral arm) | | Descriptor: | Acyl carrier protein 2, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-22 | | Release date: | 2021-12-08 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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4AJU
 | | Crystal structure of the reactive loop cleaved ZPI in P41 space group | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN Z-DEPENDENT PROTEASE INHIBITOR, SULFATE ION | | Authors: | Zhou, A, Yan, Y, Wei, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
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6Z4B
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 | | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2020-05-25 | | Release date: | 2020-11-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
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9H8S
 | | Human CDK8/Cyclin-C complex with inhibitor 3-7 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, CHLORIDE ION, ... | | Authors: | Somers, D.O. | | Deposit date: | 2024-10-29 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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5KF9
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with N-acetylglucosamine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | | Authors: | Dopkins, B.J, Thoden, J.B, Holden, H.M, Tipton, P.A. | | Deposit date: | 2016-06-12 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
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6HS9
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1A15
 | | SDF-1ALPHA | | Descriptor: | STROMAL DERIVED FACTOR-1ALPHA, SULFATE ION | | Authors: | Dealwis, C.G, Fernandez, E.J, Lolis, E. | | Deposit date: | 1997-12-22 | | Release date: | 1998-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of chemically synthesized [N33A] stromal cell-derived factor 1alpha, a potent ligand for the HIV-1 "fusin" coreceptor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4REL
 | | Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with kaempferol | | Descriptor: | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ACETATE ION, GLYCEROL, ... | | Authors: | Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R. | | Deposit date: | 2014-09-23 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
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9H8C
 | | Human CDK8/Cyclin-C complex with inhibitor 2-9 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ... | | Authors: | Somers, D.O. | | Deposit date: | 2024-10-29 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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8FZD
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with apoRF3, RF1, P- and E-site tRNAPhe (Composite state I-B) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
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8FZH
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF1, P- and E-site tRNAPhe (State II-D) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
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5FLO
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-10-28 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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8FZG
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF3-GDPCP, RF1, P- and E-site tRNAPhe (Composite state II-A) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
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7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | Deposit date: | 2021-08-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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5FDA
 | | The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase | | Authors: | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-15 | | Release date: | 2015-12-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
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8FZE
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF1, P- and E-site tRNAPhe (State I-A) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
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6QOV
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine) | | Descriptor: | (6-phenylpyridin-3-yl)methanamine, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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4ZFT
 | | Catalytic domain of Sst2 F403W mutant bound to ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease sst2, Polyubiquitin-B, ... | | Authors: | Bueno, A.N. | | Deposit date: | 2015-04-21 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Structure of the catalytic domain of Sst2 mutant F403W bound to ubiquitin at 2.3 Angstroms
To Be Published
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5DLK
 | | The crystal structure of CT mutant | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA | | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | | Deposit date: | 2015-09-06 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
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5DNU
 | | Crystal structure of Striga KAI2-like protein in complex with karrikin | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ... | | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2015-09-10 | | Release date: | 2016-08-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
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