7D0Q
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7D0O
| Crystal structure of human HBO1-BRPF2 in apo form | Descriptor: | 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Li, W, Ding, J. | Deposit date: | 2020-09-11 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | HBO1 is a versatile histone acyltransferase critical for promoter histone acylations. Nucleic Acids Res., 49, 2021
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7D0S
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7D0R
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7P08
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7P0V
| Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4 | Descriptor: | Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ... | Authors: | Sabath, K, de Vries, T, Jonas, S. | Deposit date: | 2021-06-30 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly. Proc.Natl.Acad.Sci.USA, 119, 2022
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4S1G
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5V8O
| Discovery of a high affinity inhibitor of cGAS | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Hall, J. | Deposit date: | 2017-03-22 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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3L5B
| Structure of BACE Bound to SCH713601 | Descriptor: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5E
| Structure of BACE Bound to SCH736062 | Descriptor: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5D
| Structure of BACE Bound to SCH723873 | Descriptor: | 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5F
| Structure of BACE Bound to SCH736201 | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3L5C
| Structure of BACE Bound to SCH723871 | Descriptor: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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4FWJ
| Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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4FWE
| Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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4FWF
| Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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5XXK
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1A81
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5VDR
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5VDP
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3LON
| HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | Authors: | Prongay, A.J. | Deposit date: | 2010-02-04 | Release date: | 2011-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor To be Published
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8HL6
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8HL7
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2RH4
| Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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2RHC
| Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-08 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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