4M1J
 
 | | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | | Descriptor: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | | Authors: | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
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4FM4
 | | Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1 | | Descriptor: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ... | | Authors: | Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | The Fe-type nitrile hydratase from Comamonas testosteroni Ni1 does not require an activator accessory protein for expression in Escherichia coli.
Biochem.Biophys.Res.Commun., 424, 2012
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3RZ2
 | | Crystal of Prl-1 complexed with peptide | | Descriptor: | Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1 | | Authors: | Zhang, Z.-Y, Liu, D, Bai, Y. | | Deposit date: | 2011-05-11 | | Release date: | 2011-10-26 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
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4PVG
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4RBN
 | | The crystal structure of Nitrosomonas europaea sucrose synthase: Insights into the evolutionary origin of sucrose metabolism in prokaryotes | | Descriptor: | Sucrose synthase:Glycosyl transferases group 1 | | Authors: | Wu, R, Asencion Diez, M.D, Figueroa, C.M, Machtey, M, Iglesias, A.A, Ballicora, M.A, Liu, D. | | Deposit date: | 2014-09-12 | | Release date: | 2015-07-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The Crystal Structure of Nitrosomonas europaea Sucrose Synthase Reveals Critical Conformational Changes and Insights into Sucrose Metabolism in Prokaryotes.
J.Bacteriol., 197, 2015
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7ULU
 | | Human DDAH1 soaked with its inhibitor ClPyrAA | | Descriptor: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | | Deposit date: | 2022-04-05 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
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7ULX
 | | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | | Deposit date: | 2022-04-05 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
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7ULV
 | | Human DDAH1 soaked with its inactivator S-((4-chloropyridin-2-yl)methyl)-L-cysteine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, S-[(pyridin-2-yl)methyl]-L-cysteine | | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | | Deposit date: | 2022-04-05 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
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5XYX
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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7WJU
 | | Cryo-EM structure of the AsCas12f1-sgRNAv1-dsDNA ternary complex | | Descriptor: | Non-target strand, OrfB_Zn_ribbon domain-containing protein, Target strand, ... | | Authors: | Wu, Z, Liu, D, Shen, H, Ji, Q. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structure-directed functional evolution of the miniature CRISPR-AsCas12f1 system
To Be Published
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6B6G
 | | Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction | | Descriptor: | (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | | Deposit date: | 2017-10-02 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018
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6J8I
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8G
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8H
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8J
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down) | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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7W9M
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer) | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-10 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9P
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer) | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-10 | | Release date: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9T
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV alpha helix conformer) | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P. | | Deposit date: | 2021-12-10 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9L
 | | Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-10 | | Release date: | 2022-06-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7W9K
 | | Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-09 | | Release date: | 2022-06-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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7EZO
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6BQR
 | | Human TRPM4 ion channel in lipid nanodiscs in a calcium-free state | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | | Deposit date: | 2017-11-28 | | Release date: | 2017-12-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc.
Science, 359, 2018
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6BQV
 | | Human TRPM4 ion channel in lipid nanodiscs in a calcium-bound state | | Descriptor: | CALCIUM ION, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | | Deposit date: | 2017-11-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc.
Science, 359, 2018
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