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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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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3EAX
 | | Crystal structure PTP1B complex with small molecule compound LZP-6 | | Descriptor: | 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q. | | Deposit date: | 2008-08-26 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
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4KBK
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5DI1
 | | MAP4K4 in complex with an inhibitor | | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Liu, S. | | Deposit date: | 2015-08-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
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3S41
 | | Glucokinase in complex with activator and glucose | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2011-05-18 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
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4NE9
 | | PCSK9 in complex with LDLR peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor, ... | | Authors: | Liu, S. | | Deposit date: | 2013-10-28 | | Release date: | 2014-09-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.
Chem.Biol., 21, 2014
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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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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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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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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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7EKI
 | | human alpha 7 nicotinic acetylcholine receptor in apo-form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-05 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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7EKP
 | | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-06 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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7EKT
 | | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-06 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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5W4W
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8JEU
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8JEC
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8JET
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7WBL
 | | Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Liu, S, Gao, F.G. | | Deposit date: | 2021-12-17 | | Release date: | 2022-01-19 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
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5HRA
 | | Crystal structure of an aspartate/glutamate racemase in complex with D-aspartate | | Descriptor: | D-ASPARTIC ACID, aspartate/glutamate racemase | | Authors: | Liu, X, Gao, F, Ma, Y, Liu, S, Cui, Y, Yuan, Z, Kang, X. | | Deposit date: | 2016-01-23 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | Crystal structure and molecular mechanism of an aspartate/glutamate racemase from Escherichia coli O157
Febs Lett., 590, 2016
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1SMF
 | | Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor | | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN | | Authors: | Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C. | | Deposit date: | 1992-10-24 | | Release date: | 1994-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
J.Biochem.(Tokyo), 116, 1994
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3D9C
 | | Crystal Structure PTP1B complex with aryl Seleninic acid | | Descriptor: | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y. | | Deposit date: | 2008-05-27 | | Release date: | 2008-09-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
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3MOW
 | | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1 | | Descriptor: | (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X. | | Deposit date: | 2010-04-23 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
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