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8XB3
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BU of 8xb3 by Molmil
Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
Descriptor: 1-[(3-iodanylphenyl)methyl]guanidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2
Authors:Ji, W.M, Wu, J.X.
Deposit date:2023-12-05
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
To Be Published
8XB2
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BU of 8xb2 by Molmil
Structure of radafaxine-bound state of the human Norepinephrine Transporter
Descriptor: (2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2,Maltose/maltodextrin-binding periplasmic protein,Sodium-dependent noradrenaline transporter,Maltose/maltodextrin-binding periplasmic protein,Sodium-dependent noradrenaline transporter
Authors:Wu, J.X, Ji, W.M.
Deposit date:2023-12-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Substrate binding and inhibition mechanism of norepinephrine transporter
To Be Published
8XB0
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BU of 8xb0 by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Tong, S.L, Zhang, G.P.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8XAY
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BU of 8xay by Molmil
Cryo-EM structure of an anti-phage defense complex bound to ATPrS and DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
8XAX
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BU of 8xax by Molmil
Cryo-EM structure of an anti-phage defense complex bound to AMPPNP and DNA at state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
8XAW
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BU of 8xaw by Molmil
Cryo-EM structure of an anti-phage defense complex bound to AMPPNP and DNA at state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
8XAV
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BU of 8xav by Molmil
Cryo-EM structure of an anti-phage defense complex
Descriptor: ATP-binding protein, DUF4297
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
8XAU
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BU of 8xau by Molmil
Cryo-EM structure of HerA
Descriptor: ATP-binding protein
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
8XAT
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BU of 8xat by Molmil
Crystal structure of AtARR1(RD-DBD)
Descriptor: Two-component response regulator ARR1
Authors:Li, J.X, Zhou, C.M, Zhang, P, Wang, J.W.
Deposit date:2023-12-05
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:The structure of B-ARR reveals the molecular basis of transcriptional activation by cytokinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XAS
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BU of 8xas by Molmil
Crystal structure of AtARR1-DBD in complex with a DNA fragment
Descriptor: DNA (50-MER), Two-component response regulator ARR1
Authors:Li, J.X, Zhou, C.M, zhang, P, Wang, J.W.
Deposit date:2023-12-05
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:The structure of B-ARR reveals the molecular basis of transcriptional activation by cytokinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XAR
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BU of 8xar by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8XAM
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BU of 8xam by Molmil
Co-crystal structure of compound 7 in complex with MAT2A
Descriptor: 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Gao, F, Ding, X.
Deposit date:2023-12-04
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach.
Bioorg.Med.Chem., 100, 2024
8XAK
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BU of 8xak by Molmil
Structure of Pif1-G4 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (34-MER), ...
Authors:Hong, Z, Song, H.
Deposit date:2023-12-04
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Eukaryotic Pif1 helicase unwinds G-quadruplex and dsDNA using a conserved wedge.
Nat Commun, 15, 2024
8XAJ
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BU of 8xaj by Molmil
Cryo-EM structure of OSCA1.2-liposome-inside-in open state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1
Authors:Zhang, Y, Han, Y.
Deposit date:2023-12-04
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
8XAI
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BU of 8xai by Molmil
Crystal structure of Protease CPAVM1 in Bacillus subtilis LjM2
Descriptor: Lipoprotein
Authors:Zhang, J, Wang, C.Y.
Deposit date:2023-12-04
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Anti-influenza activity of CPAVM1 protease secreted by Bacillus subtilis LjM2.
Antiviral Res., 228, 2024
8XAB
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BU of 8xab by Molmil
Crystal structure of Ubl1 domain of nonstructural protein 3 of SARS-CoV-2
Descriptor: GLYCEROL, Papain-like protease nsp3
Authors:Li, Y, Ke, Z.
Deposit date:2023-12-03
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:N-terminus of SARS-CoV-2 Nsp3 Interrupts RNA-driven Phase Separation of N Protein by Displacing RNA
To Be Published
8XA9
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BU of 8xa9 by Molmil
Human MGME1 in complex with 5'-overhang DNA
Descriptor: CALCIUM ION, DNA (11-MER), DNA (18-MER), ...
Authors:Wu, C.C, Mao, E.Y.C.
Deposit date:2023-12-03
Release date:2024-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis of how MGME1 processes DNA 5' ends to maintain mitochondrial genome integrity.
Nucleic Acids Res., 52, 2024
8X9H
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BU of 8x9h by Molmil
Crystal structure of CO dehydrogenase mutant (F41C)
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9G
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BU of 8x9g by Molmil
Crystal structure of CO dehydrogenase mutant in complex with BV
Descriptor: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9F
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BU of 8x9f by Molmil
Crystal structure of CO dehydrogenase mutant in complex with EV
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9E
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BU of 8x9e by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration
Descriptor: 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9D
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BU of 8x9d by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X94
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BU of 8x94 by Molmil
Structure of human TRPV1 in complex with antagonist --protein purified without CHS
Descriptor: 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,Green fluorescent protein
Authors:Fan, J, Lei, X.
Deposit date:2023-11-29
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structural basis of TRPV1 inhibition by SAF312 and cholesterol
Nat Commun, 15, 2024
8X93
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BU of 8x93 by Molmil
P/Q type calcium channel in complex with omega-Agatoxin IVA
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X91
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BU of 8x91 by Molmil
P/Q type calcium channel in complex with omega-conotoxin MVIIC
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024

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PDB entries from 2024-08-14

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