7RMS
 
 | | Crystal structure of [I11G]cycloviolacin O2 | | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | | Deposit date: | 2021-07-28 | | Release date: | 2021-09-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
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7VGB
 | | Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Huang, P, Jiang, Z.Q. | | Deposit date: | 2021-09-15 | | Release date: | 2022-05-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms.
Acta Crystallogr D Struct Biol, 78, 2022
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7VGC
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8IBQ
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-10 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-13 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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7SQI
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP | | Descriptor: | Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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7SZ9
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D. | | Deposit date: | 2021-11-26 | | Release date: | 2022-11-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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4M5C
 | | Crystal Structure of an Truncated Transition metal Transporter | | Descriptor: | COBALT (II) ION, Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL | | Authors: | Yu, Y, Zhou, M.Z, Gu, J.K. | | Deposit date: | 2013-08-08 | | Release date: | 2014-03-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
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4M58
 | | Crystal Structure of an transition metal transporter | | Descriptor: | Cobalamin biosynthesis protein CbiM, NICKEL (II) ION | | Authors: | Yu, Y, Yan, C.Y, Zhang, B, Li, X.L, Gu, J.K. | | Deposit date: | 2013-08-08 | | Release date: | 2014-03-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
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4M5B
 | | Crystal Structure of an Truncated Transition Metal Transporter | | Descriptor: | Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL, NICKEL (II) ION | | Authors: | Yu, Y. | | Deposit date: | 2013-08-08 | | Release date: | 2014-03-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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5Z7C
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6AIB
 | | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | | Descriptor: | DEAD-box ATP-dependent RNA helicase CshA | | Authors: | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6AIC
 | | Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA | | Authors: | Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6M02
 | | cryo-EM structure of human Pannexin 1 channel | | Descriptor: | Pannexin-1 | | Authors: | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
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7YHS
 | | Structure of Csy-AcrIF4-dsDNA | | Descriptor: | AcrIF4, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | | Authors: | Feng, Y, Zhang, L.X. | | Deposit date: | 2022-07-14 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Anti-CRISPR protein AcrIF4 inhibits the type I-F CRISPR-Cas surveillance complex by blocking nuclease recruitment and DNA cleavage.
J.Biol.Chem., 298, 2022
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2JRH
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7EEE
 | | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose | | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | | Authors: | Jiang, Z.Q, Ma, J.W. | | Deposit date: | 2021-03-18 | | Release date: | 2022-03-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.660792 Å) | | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
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7EEJ
 | | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose | | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | | Authors: | Jiang, Z.Q, Ma, J.W. | | Deposit date: | 2021-03-18 | | Release date: | 2022-03-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.47798049 Å) | | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
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7EE2
 | | Structural insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.CQ31 | | Descriptor: | GLYCEROL, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | | Authors: | Jiang, Z.Q, Ma, J. | | Deposit date: | 2021-03-17 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.37011635 Å) | | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
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8K62
 | | Crystal structure of ALKBH1 and 13h complex. | | Descriptor: | 1-[5-[[3-(trifluoromethyloxy)phenyl]methoxy]pyrimidin-2-yl]pyrazole-4-carboxylic acid, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | | Authors: | Liang, X, Yinping, G, Feng, L, Jiang, Z, Ke, X, Shengyong, Y. | | Deposit date: | 2023-07-24 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Crystal structure of ALKBH1 and 13h complex
To Be Published
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8K75
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5XGH
 | | Crystal structure of PI3K complex with an inhibitor | | Descriptor: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Song, K, Yang, X, Zhao, Y, Jian, Z. | | Deposit date: | 2017-04-13 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
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