4KBC
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4KB8
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8CUH
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![BU of 8cuh by Molmil](/molmil-images/mine/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
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![BU of 8fbd by Molmil](/molmil-images/mine/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
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![BU of 8fbe by Molmil](/molmil-images/mine/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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3S41
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![BU of 3s41 by Molmil](/molmil-images/mine/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
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![BU of 4ne9 by Molmil](/molmil-images/mine/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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3EAX
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![BU of 3eax by Molmil](/molmil-images/mine/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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5DI1
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![BU of 5di1 by Molmil](/molmil-images/mine/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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6N7R
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![BU of 6n7r by Molmil](/molmil-images/mine/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
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![BU of 6n7p by Molmil](/molmil-images/mine/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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6CDY
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![BU of 6cdy by Molmil](/molmil-images/mine/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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4Q9O
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![BU of 4q9o by Molmil](/molmil-images/mine/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
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![BU of 4q9m by Molmil](/molmil-images/mine/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
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![BU of 7eki by Molmil](/molmil-images/mine/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
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![BU of 7ekp by Molmil](/molmil-images/mine/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
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![BU of 7ekt by Molmil](/molmil-images/mine/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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8JEU
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8JET
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8JEC
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7WBL
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![BU of 7wbl by Molmil](/molmil-images/mine/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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6WVG
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![BU of 6wvg by Molmil](/molmil-images/mine/6wvg) | human CD53 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein, ... | Authors: | Yang, Y, Liu, S, Li, W. | Deposit date: | 2020-05-06 | Release date: | 2020-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Open conformation of tetraspanins shapes interaction partner networks on cell membranes. Embo J., 39, 2020
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4ZMM
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![BU of 4zmm by Molmil](/molmil-images/mine/4zmm) | GGDEF domain of Dcsbis complexed with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), diguanylate cyclase | Authors: | Chen, Y, Liu, C, Liu, S, Chi, K, Gu, L. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Crystal structure of Dcsbis GGDEF domain complexed with c-di-GMP To Be Published
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3MOW
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![BU of 3mow by Molmil](/molmil-images/mine/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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5LQY
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![BU of 5lqy by Molmil](/molmil-images/mine/5lqy) | Structure of F-ATPase from Pichia angusta, in state2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase OSCP subunit, ... | Authors: | Vinothkumar, K.R, Montgomery, M.G, Liu, S, Walker, J.E. | Deposit date: | 2016-08-17 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Structure of the mitochondrial ATP synthase fromPichia angustadetermined by electron cryo-microscopy. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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