3KUO
 
 | | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | | Deposit date: | 2009-11-27 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
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3TMZ
 | | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
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6MEV
 | | Structure of JMJD6 bound to Mono-Methyl Arginine. | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | | Authors: | Lee, S, Zhang, G. | | Deposit date: | 2018-09-07 | | Release date: | 2019-09-18 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
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3UA5
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3V78
 | | Crystal Structure of Transcriptional Regulator | | Descriptor: | ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | | Deposit date: | 2011-12-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
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3JBZ
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3KUN
 | | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | | Deposit date: | 2009-11-27 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
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3V6G
 | | Crystal Structure of Transcriptional Regulator | | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | | Deposit date: | 2011-12-19 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
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3LZB
 | | EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor | | Descriptor: | Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide | | Authors: | Swinger, K.K. | | Deposit date: | 2010-03-01 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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3MVR
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5ULA
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3KF0
 | | HIV Protease with fragment 4D9 bound | | Descriptor: | (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | Authors: | Stout, C.D, Perryman, A.L. | | Deposit date: | 2009-10-27 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
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3KFS
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3KFN
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5L01
 | | Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid | | Descriptor: | (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | Deposit date: | 2016-07-26 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5L1L
 | | PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dT site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5L1K
 | | PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dC site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5L1J
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5KQE
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5LQ3
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5MZ3
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Cowan-Jacob, S.W, Scheufler, C. | | Deposit date: | 2017-01-30 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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6M0J
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Wang, X, Lan, J, Ge, J, Yu, J, Shan, S. | | Deposit date: | 2020-02-21 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Nature, 581, 2020
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8TTY
 | | Crystal structure of monkey TLR7 ectodomain with compound 5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ... | | Authors: | Critton, D.A. | | Deposit date: | 2023-08-15 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
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8TTZ
 | | Crystal structure of monkey TLR7 ectodomain with compound 20 | | Descriptor: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Critton, D.A. | | Deposit date: | 2023-08-15 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
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5U5S
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