1TUK
 
 | | Crystal structure of liganded type 2 non specific lipid transfer protein from wheat | | Descriptor: | 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)], IODIDE ION, Nonspecific lipid-transfer protein 2G | | Authors: | Hoh, F, Pons, J.L, Gautier, M.F, De Lamotte, F, Dumas, C. | | Deposit date: | 2004-06-25 | | Release date: | 2005-04-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure of a liganded type 2 non-specific lipid-transfer protein from wheat and the molecular basis of lipid binding.
Acta Crystallogr.,Sect.D, 61, 2005
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4YC9
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) | | Descriptor: | GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-19 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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1TSU
 | | CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT | | Descriptor: | NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2004-06-21 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease
J.Virol., 78, 2004
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2MRO
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4Y6A
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7WH1
 | | structure of C elegans BCMO-2 | | Descriptor: | Beta-Carotene 15,15'-MonoOxygenase, FE (III) ION, GLYCEROL, ... | | Authors: | Pan, W, Liu, L. | | Deposit date: | 2021-12-29 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans .
Front Mol Biosci, 9, 2022
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7WAM
 | | Crystal structure of HaloTag complexed with VL1 | | Descriptor: | 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
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9CN3
 | | Human 39S mitoribosome in complex with antibiotic Linezolid | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Raskar, T, Bibel, B, Galonic Fujimori, D, Fraser, J. | | Deposit date: | 2024-07-15 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Context-specific inhibition of mitochondrial ribosomes by phenicol and oxazolidinone antibiotics.
Nucleic Acids Res., 53, 2025
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1TVP
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1UBZ
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6NRG
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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2NNY
 | | Crystal structure of the Ets1 dimer DNA complex. | | Descriptor: | 5'-D(*A*CP*TP*CP*CP*AP*GP*GP*AP*AP*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*TP*CP*T)-3', 5'-D(*T*AP*GP*AP*CP*AP*GP*GP*AP*AP*GP*CP*AP*CP*TP*TP*CP*CP*TP*GP*GP*AP*G)-3', C-ets-1 protein | | Authors: | Lamber, E.P, Kachalova, G.S, Wilmanns, M. | | Deposit date: | 2006-10-24 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Regulation of the transcription factor Ets-1 by DNA-mediated homo-dimerization.
Embo J., 27, 2008
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1UC0
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1U53
 | | Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection | | Descriptor: | secreted protein ASP-2 | | Authors: | Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J. | | Deposit date: | 2004-07-26 | | Release date: | 2005-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection.
J.Mol.Biol., 346, 2005
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8HKE
 | | dsRNA transporter | | Descriptor: | RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION | | Authors: | Jiang, D.H, Zhang, J.T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-11-29 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
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4Y71
 | | Factor Xa complex with GTC000398 | | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Factor Xa complex with GTC000398
To be Published
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4Y7A
 | | Factor Xa complex with GTC000422 | | Descriptor: | CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ... | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Factor Xa complex with GTC000422
to be published
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6NRF
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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4Y8U
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4YAD
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) | | Descriptor: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-17 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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9CYA
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9KLW
 | | Crystal structure of EGFR T790M, L858R mutant complexed with N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide | | Authors: | Suzuki, T, Kasuga, H, Yamamoto, F. | | Deposit date: | 2024-11-15 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of TAS3351, a brain-penetrable 4th generation EGFR-TKI overcoming T790M and C797S resistant mutations.
Res Sq, 2025
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1UBP
 | | CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION | | Descriptor: | BETA-MERCAPTOETHANOL, NICKEL (II) ION, UREASE | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | Deposit date: | 1998-01-21 | | Release date: | 1999-03-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution
J.Biol.Inorg.Chem., 3, 1998
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9LXR
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9KL4
 | | Crystal structure of EGFR complexed with N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide | | Authors: | Suzuki, T, Kasuga, H, Yamamoto, F. | | Deposit date: | 2024-11-14 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of TAS3351, a brain-penetrable 4th generation EGFR-TKI overcoming T790M and C797S resistant mutations.
Res Sq, 2025
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