7KWA
 
 | | Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | | Descriptor: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | | Authors: | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | | Deposit date: | 2020-11-30 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
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6IGK
 | | Crystal Structure of human ETB receptor in complex with Endothelin-3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ... | | Authors: | Shihoya, W, Izume, T, Inoue, A, Yamashita, K, Kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
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6A73
 | | Complex structure of CSN2 with IP6 | | Descriptor: | COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION | | Authors: | Liu, L, Li, D, Rao, F, Wang, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6OR2
 | | MmpL3 is a lipid transporter that binds trehalose monomycolate and phosphatidylethanolamine | | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, DODECYL-BETA-D-MALTOSIDE, Membrane protein, ... | | Authors: | Su, C.-C. | | Deposit date: | 2019-04-29 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | MmpL3 is a lipid transporter that binds trehalose monomycolate and phosphatidylethanolamine.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6AJG
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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7N6B
 | | Structure of MmpL3 reconstituted into lipid nanodisc in the TMM bound state | | Descriptor: | 6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside, MmpL3 transporter | | Authors: | Su, C.C, Yu, E. | | Deposit date: | 2021-06-08 | | Release date: | 2021-09-01 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structures of the mycobacterial membrane protein MmpL3 reveal its mechanism of lipid transport.
Plos Biol., 19, 2021
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6AJF
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6IGL
 | | Crystal Structure of human ETB receptor in complex with IRL1620 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ... | | Authors: | Shihoya, W, Izume, T, Inoue, A, Yamashita, K, kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
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6A9J
 | | Crystal structure of the PE-bound N-terminal domain of Atg2 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2 | | Authors: | Osawa, T, Noda, N.N. | | Deposit date: | 2018-07-13 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
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6AJJ
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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7DDZ
 | | The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide | | Authors: | Tang, T, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2020-10-30 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
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6AJH
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.818 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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7C2N
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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6AJI
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6K41
 | | cryo-EM structure of alpha2BAR-GoA complex | | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | | Deposit date: | 2019-05-23 | | Release date: | 2020-04-15 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
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7K8B
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6LRY
 | | Crystal structure of human endothelin ETB receptor in complex with sarafotoxin S6b | | Descriptor: | Endothelin receptor type B,Endolysin,Endothelin receptor type B, Sarafotoxin-B | | Authors: | Izume, T, Miyauchi, H, Shihoya, W, Nureki, O. | | Deposit date: | 2020-01-16 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human endothelin ETBreceptor in complex with sarafotoxin S6b.
Biochem.Biophys.Res.Commun., 528, 2020
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7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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6N48
 | | Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | | Authors: | Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K. | | Deposit date: | 2018-11-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
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6KPC
 | | Crystal structure of an agonist bound GPCR | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6A9E
 | | Crystal structure of the N-terminal domain of Atg2 | | Descriptor: | Endolysin,Autophagy-related protein 2 | | Authors: | Osawa, T, Noda, N.N. | | Deposit date: | 2018-07-13 | | Release date: | 2019-03-20 | | Last modified: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
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8QKK
 | | Cryo-EM structure of MmpL3 from Mycobacterium smegmatis reconstituted into peptidiscs | | Descriptor: | Trehalose monomycolate exporter MmpL3 | | Authors: | Couston, J, Guo, Z, Wang, K, Gourdon, P.E, Blaise, M. | | Deposit date: | 2023-09-15 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Cryo-EM structure of the trehalose monomycolate transporter, MmpL3, reconstituted into peptidiscs.
Curr Res Struct Biol, 6, 2023
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6N40
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7K7M
 | | Crystal Structure of a membrane protein | | Descriptor: | Drug exporters of the RND superfamily-like protein, alpha-D-glucopyranose-(1-1)-6-O-decanoyl-alpha-D-glucopyranose | | Authors: | Su, C.-C. | | Deposit date: | 2020-09-23 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Structures of the mycobacterial membrane protein MmpL3 reveal its mechanism of lipid transport.
Plos Biol., 19, 2021
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7WNX
 | | Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs | | Descriptor: | N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide, Trehalose monomycolate exporter MmpL3 | | Authors: | Zhang, B, Hu, T, Yang, X, Liu, F, Rao, Z. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3.
Structure, 30, 2022
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