7X4R
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4WHU
| BROMO domain of CREB binding protein | Descriptor: | 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, CREB-binding protein | Authors: | Liu, S. | Deposit date: | 2014-09-23 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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6N7P
| S. cerevisiae spliceosomal E complex (UBC4) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2018-11-27 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A unified mechanism for intron and exon definition and back-splicing. Nature, 573, 2019
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6N7R
| Saccharomyces cerevisiae spliceosomal E complex (ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2018-11-28 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A unified mechanism for intron and exon definition and back-splicing. Nature, 573, 2019
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5JPV
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5JQ1
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6WVD
| Human JAGN1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Green fluorescent protein, Protein jagunal homolog 1 chimera | Authors: | Yang, Y, Liu, S, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Termini restraining of small membrane proteins enables structure determination at near-atomic resolution. Sci Adv, 6, 2020
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8CUH
| Crystal structure of human TEAD2 complexed with its inhibitor TM2. | Descriptor: | 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide, Transcriptional enhancer factor TEF-4 | Authors: | Liu, S, Luo, X. | Deposit date: | 2022-05-17 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode. Elife, 11, 2022
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8F5F
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.149 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5J
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5S
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-15 | Release date: | 2023-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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3JSI
| Human phosphodiesterase 9 in complex with inhibitor | Descriptor: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-10 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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3JSW
| Human PDE9 in complex with selective inhibitor | Descriptor: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-11 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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5W4W
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4KBA
| CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor | Descriptor: | 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION | Authors: | Liu, S. | Deposit date: | 2013-04-23 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand-protein interactions of selective casein kinase 1 delta inhibitors. J.Med.Chem., 56, 2013
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4KBK
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4KBC
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4KB8
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4Q9O
| Crystal structure of Upps + inhibitor | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, Isoprenyl transferase, SULFATE ION | Authors: | Liu, S, Qiu, X. | Deposit date: | 2014-05-01 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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4Q9M
| Crystal structure of UPPs in complex with FPP and an allosteric inhibitor | Descriptor: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, CADMIUM ION, FARNESYL DIPHOSPHATE, ... | Authors: | Liu, S, Qiu, X. | Deposit date: | 2014-05-01 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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6CDY
| Crystal structure of TEAD complexed with its inhibitor | Descriptor: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4 | Authors: | LIU, S, HAN, X, LUO, X. | Deposit date: | 2018-02-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription. Cell Stem Cell, 26, 2020
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5V03
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5V02
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8FBD
| Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1 | Descriptor: | ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3 | Authors: | Liu, S, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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8FBE
| Crystal structure of OrfX1 from Clostridium botulinum E1 | Descriptor: | Neurotoxin complex component Orf-X1 | Authors: | Liu, S, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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