7R3V
 
 | | Crystal structure of bovine Cytochrome bc1 in complex with inhibitor CK-2-67. | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Pinthong, N, Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Targeting the Ubiquinol-Reduction (Q i ) Site of the Mitochondrial Cytochrome bc 1 Complex for the Development of Next Generation Quinolone Antimalarials.
Biology (Basel), 11, 2022
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3IWM
 | | The octameric SARS-CoV main protease | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Zhong, N, Zhang, S, Xue, F, Lou, Z, Rao, Z, Xia, B. | | Deposit date: | 2009-09-02 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease
Protein Cell, 1, 2010
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3UWN
 | | The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic | | Descriptor: | Lethal(3)malignant brain tumor-like protein 1, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | | Authors: | Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Ingerman, L.A, Korboukh, V, Kireev, D.B, Gao, C, Frye, S.V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
To be Published
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3UT1
 | | Crystal structure of the 3-MBT repeat domain of L3MBTL3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT (II) ION, Lethal(3)malignant brain tumor-like protein 3, ... | | Authors: | Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-24 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the 3-MBT repeat domain of L3MBTL3
to be published
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4L59
 | | Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
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4FL6
 | | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | | Descriptor: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | | Authors: | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-14 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
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3EBN
 | | A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Zhong, N, Zhang, S, Xue, F, Kang, X, Lou, Z, Xia, B. | | Deposit date: | 2008-08-28 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
PROTEIN SCI., 18, 2009
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7RG8
 | | Crystal Structure of a Stable Heparanase Mutant | | Descriptor: | ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... | | Authors: | Whitefield, C, Hong, N.S, Jackson, C.J. | | Deposit date: | 2021-07-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
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5WYR
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
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6JKI
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2019-03-01 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
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5GMB
 | | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa | | Descriptor: | tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | | Authors: | Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2016-07-13 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
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5GM8
 | | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa | | Descriptor: | SINEFUNGIN, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | | Authors: | Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2016-07-13 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
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5GMC
 | | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa | | Descriptor: | tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | | Authors: | Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2016-07-13 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
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7OTI
 | | Structure of ABCB1/P-glycoprotein in apo state | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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7OTG
 | | Structure of ABCB1/P-glycoprotein in the presence of the CFTR potentiator ivacaftor | | Descriptor: | Multidrug resistance protein 1A, N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | | Authors: | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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7P92
 | | TmHydABC- T. maritima bifurcating hydrogenase with bridge domain up | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | | Deposit date: | 2021-07-23 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
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7P8N
 | | TmHydABC- T. maritima hydrogenase with bridge closed | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | | Deposit date: | 2021-07-23 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
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7P91
 | | TmHydABC- T. maritima bifurcating hydrogenase with bridge domain closed | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | | Deposit date: | 2021-07-23 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
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7P5H
 | | TmHydABC- D2 map | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | | Deposit date: | 2021-07-14 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Elife, 11, 2022
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6Q81
 | | Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, P-glycoprotein (ABCB1) | | Authors: | Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A. | | Deposit date: | 2018-12-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution.
Bmc Struct.Biol., 18, 2018
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6GDI
 | | Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A. | | Deposit date: | 2018-04-23 | | Release date: | 2018-05-23 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution.
Bmc Struct.Biol., 18, 2018
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1Z7R
 | | Solution Structure of reduced glutaredoxin C1 from Populus tremula x tremuloides | | Descriptor: | glutaredoxin | | Authors: | Feng, Y, Zhong, N, Rouhier, N, Jacquot, J.P, Xia, B. | | Deposit date: | 2005-03-26 | | Release date: | 2006-03-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into Poplar Glutaredoxin C1 with a Bridging Iron-Sulfur Cluster at the Active Site
Biochemistry, 45, 2006
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8I9I
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