7VRL
 
 | | Solution structure of Rbfox RRM bound to a non-cognate RNA | | Descriptor: | RNA (5'-R(*UP*GP*CP*AP*UP*AP*U)-3'), RNA binding protein fox-1 homolog 1 | | Authors: | Yang, F, Varani, G. | | Deposit date: | 2021-10-23 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Two distinct binding modes provide the RNA-binding protein RbFox with extraordinary sequence specificity.
Nat Commun, 14, 2023
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7TUQ
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6OF5
 | | The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P. | | Deposit date: | 2019-03-28 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
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6SSA
 | | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | | Authors: | Rizkallah, P.J, Bovay, A. | | Deposit date: | 2019-09-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
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7JI1
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8V7I
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8V7C
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8V7K
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8V7A
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6OC1
 | | Crystal structure of human DHODH with TAK-632 | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Durst, M.A, Lavie, A. | | Deposit date: | 2019-03-21 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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8V7J
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8V7F
 | | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T*())-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Chang, C, Gao, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+
To Be Published
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8V7H
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6SDJ
 | | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | | Descriptor: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6OIO
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | | Descriptor: | Histone acetyltransferase KAT8, N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, ZINC ION | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
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8V7E
 | | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mg2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*TP*TP*GP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Chang, C, Gao, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mg2+
To Be Published
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8V7B
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8V7D
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1VAD
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6SAC
 | | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-16 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6PD8
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39 | | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDC
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6C55
 | | Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3 | | Descriptor: | (cyclohexylamino)(oxo)acetic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schmbri, M, McGeary, R.P. | | Deposit date: | 2018-01-14 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
To Be Published
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6PME
 | | TRK-A IN COMPLEX WITH LIGAND | | Descriptor: | High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ... | | Authors: | Subramanian, G, Brown, D.G. | | Deposit date: | 2019-07-01 | | Release date: | 2020-02-26 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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6QU6
 | | Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH4.0 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ... | | Authors: | Baker, A.T, Mundy, R.M, Parker, A.L, Rizkallah, P.J. | | Deposit date: | 2019-02-26 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
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