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7VJ2
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BU of 7vj2 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (125 us time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VIZ
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BU of 7viz by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (250 ns time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ9
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BU of 7vj9 by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (semiquinone dark structure)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJK
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BU of 7vjk by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (100 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJG
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BU of 7vjg by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (1 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VIW
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BU of 7viw by Molmil
Dark adapted MmCPDII during oxidized to semiquinone TR-SFX studies
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ3
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BU of 7vj3 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (400 us time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7D7M
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BU of 7d7m by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Nojima, S, Fujita, Y, Kimura, T.K, Nomura, N, Suno, R, Morimoto, K, Yamamoto, M, Noda, T, Iwata, S, Shigematsu, H, Kobayashi, T.
Deposit date:2020-10-05
Release date:2020-11-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein.
Structure, 29, 2021
8ZMG
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BU of 8zmg by Molmil
Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A
Descriptor: 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin
Authors:Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K.
Deposit date:2024-05-23
Release date:2024-08-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
8ZMF
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BU of 8zmf by Molmil
Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C
Descriptor: 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562
Authors:Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K.
Deposit date:2024-05-23
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
6A93
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BU of 6a93 by Molmil
Crystal structure of 5-HT2AR in complex with risperidone
Descriptor: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
Deposit date:2018-07-11
Release date:2019-02-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
7XRZ
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BU of 7xrz by Molmil
Crystal structure of BRIL and SRP2070_Fab complex
Descriptor: IGG HEAVY CHAIN, IGG LIGHT CHAIN, Soluble cytochrome b562
Authors:Suzuki, M, Miyagi, H, Yasunaga, M, Asada, H, Iwata, S, Saito, J.
Deposit date:2022-05-12
Release date:2023-05-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone.
Acta Crystallogr D Struct Biol, 79, 2023
7YFC
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BU of 7yfc by Molmil
Cryo-EM structure of the histamine-bound histamine H4 receptor and Gq complex
Descriptor: CHOLESTEROL, Engineered G-alpha-q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Im, D, Iwata, S, Asada, H.
Deposit date:2022-07-08
Release date:2023-10-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the agonists binding and receptor selectivity of human histamine H 4 receptor.
Nat Commun, 14, 2023
7YFD
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BU of 7yfd by Molmil
Cryo-EM structure of the imetit-bound histamine H4 receptor and Gq complex
Descriptor: 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, CHOLESTEROL, Engineered G-alpha-q, ...
Authors:Im, D, Iwata, S, Asada, H.
Deposit date:2022-07-08
Release date:2023-10-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the agonists binding and receptor selectivity of human histamine H 4 receptor.
Nat Commun, 14, 2023
7C61
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BU of 7c61 by Molmil
Crystal structure of 5-HT1B-BRIL and SRP2070_Fab complex
Descriptor: 5-hydroxytryptamine receptor 1B,Soluble cytochrome b562,5-hydroxytryptamine receptor 1B, Ergotamine, IGG HEAVY CHAIN, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
8XI6
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BU of 8xi6 by Molmil
SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y.
Deposit date:2023-12-19
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein.
J.Virol., 98, 2024
7C8I
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BU of 7c8i by Molmil
Ambient temperature structure of Bifidobacgterium longum phosphoketolase with thiamine diphosphate and phosphoenol pyuruvate
Descriptor: CALCIUM ION, PHOSPHOENOLPYRUVATE, THIAMINE DIPHOSPHATE, ...
Authors:Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
7C8H
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BU of 7c8h by Molmil
Ambient temperature structure of Bifidobacterium longum phosphoketolase with thiamine diphosphate
Descriptor: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, MALONIC ACID, ...
Authors:Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
7DFP
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BU of 7dfp by Molmil
Human dopamine D2 receptor in complex with spiperone
Descriptor: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ...
Authors:Im, D, Shimamura, T, Iwata, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone.
Nat Commun, 11, 2020
7C6A
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BU of 7c6a by Molmil
Crystal structure of AT2R-BRIL and SRP2070_Fab complex
Descriptor: IgG Light Chain, IgG heavy chain, SAR1, ...
Authors:Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
Deposit date:2020-05-21
Release date:2020-07-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
7P34
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BU of 7p34 by Molmil
Cryo-EM structure of the proton-dependent antibacterial peptide transporter SbmA-FabS11-1 in nanodiscs
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Peptide antibiotic transporter SbmA
Authors:Ghilarov, D, Beis, K.
Deposit date:2021-07-07
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Molecular mechanism of SbmA, a promiscuous transporter exploited by antimicrobial peptides.
Sci Adv, 7, 2021
9QUW
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BU of 9quw by Molmil
Cryo-EM structure of the human NHA2-Fab complex bound to phloretin
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, Fab heavy chain, ...
Authors:Jung, S, Drew, D.
Deposit date:2025-04-11
Release date:2025-05-14
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and Inhibition of the Human Na + /H + Exchanger SLC9B2.
Int J Mol Sci, 26, 2025
9QUB
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BU of 9qub by Molmil
Cryo-EM structure of the human NHA2-Fab complex
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Fab-heavy chain, Fab-light chain, ...
Authors:Jung, S, Drew, D.
Deposit date:2025-04-10
Release date:2025-05-14
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure and Inhibition of the Human Na + /H + Exchanger SLC9B2.
Int J Mol Sci, 26, 2025
4PL0
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BU of 4pl0 by Molmil
Crystal structure of the antibacterial peptide ABC transporter McjD in an outward occluded state
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Choudhury, H.G, Beis, K.
Deposit date:2014-05-15
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of an antibacterial peptide ATP-binding cassette transporter in a novel outward occluded state.
Proc.Natl.Acad.Sci.USA, 111, 2014
6LBH
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BU of 6lbh by Molmil
Cryo-EM structure of the MgtE Mg2+ channel under Mg2+-free conditions
Descriptor: Fab heavy chain, Fab light chain, Magnesium transporter MgtE
Authors:Hattori, M, Jin, F.
Deposit date:2019-11-14
Release date:2021-04-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structure of MgtE in the absence of magnesium provides new insights into channel gating.
Plos Biol., 19, 2021

238582

數據於2025-07-09公開中

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