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8WE7
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BU of 8we7 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-23
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI8
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BU of 6ji8 by Molmil
Structure of RyR2 (F/apoCaM dataset)
Descriptor: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-20
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRR
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BU of 6jrr by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-21
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JHN
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BU of 6jhn by Molmil
Structure of RyR2 (F/C/Ca2+ dataset)
Descriptor: CAFFEINE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
Deposit date:2019-02-18
Release date:2019-12-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JH6
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BU of 6jh6 by Molmil
Structure of RyR2 (F/A/Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
Authors:Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
Deposit date:2019-02-17
Release date:2019-12-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6A71
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BU of 6a71 by Molmil
Crystal Structure of Human ATP7B and TM Complex
Descriptor: ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, W.B.
Deposit date:2018-06-30
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
7WFW
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BU of 7wfw by Molmil
Apo human Nav1.8
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-27
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WEL
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BU of 7wel by Molmil
Human Nav1.8 with A-803467, class II
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-23
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WFR
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BU of 7wfr by Molmil
Human Nav1.8 with A-803467, class III
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-27
Release date:2022-08-03
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WE4
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BU of 7we4 by Molmil
Human Nav1.8 with A-803467, class I
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Pan, X.J, Huang, X.S, Huang, G.X.
Deposit date:2021-12-22
Release date:2022-08-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
Authors:Li, H, Deng, J, Cierpicki, T, Grembecka, J.
Deposit date:2020-05-14
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
6X0P
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BU of 6x0p by Molmil
Ash1L SET domain Q2265A mutant in complex with AS-5
Descriptor: 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide, Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ...
Authors:Rogawski, D.S, Li, H, Borkin, D, Cierpicki, T, Grembecka, J.
Deposit date:2020-05-17
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
7DXH
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BU of 7dxh by Molmil
Cryo-EM structure of PSII intermediate Psb28-PSII complex
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q.
Deposit date:2021-01-18
Release date:2021-06-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063.
Nat.Plants, 7, 2021
7DXA
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BU of 7dxa by Molmil
PSII intermediate Psb28-RC47
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q.
Deposit date:2021-01-18
Release date:2021-06-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063.
Nat.Plants, 7, 2021
8I5Y
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BU of 8i5y by Molmil
Structure of human Nav1.7 in complex with vixotrigine
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:Wu, Q.R, Yan, N.
Deposit date:2023-01-26
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5G
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BU of 8i5g by Molmil
Structure of human Nav1.7 in complex with PF-05089771
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:Wu, Q.R, Yan, N.
Deposit date:2023-01-25
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5X
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BU of 8i5x by Molmil
Structure of human Nav1.7 in complex with Vinpocetine
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:Wu, Q.R, Yan, N.
Deposit date:2023-01-26
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8I5B
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BU of 8i5b by Molmil
Structure of human Nav1.7 in complex with bupivacaine
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8J4F
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BU of 8j4f by Molmil
Structure of human Nav1.7 in complex with Hardwickii acid
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-04-19
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
4O03
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BU of 4o03 by Molmil
Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin
Authors:Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
Deposit date:2013-12-13
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
5V89
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BU of 5v89 by Molmil
Structure of DCN4 PONY domain bound to CUL1 WHB
Descriptor: Cullin-1, DCN1-like protein 4
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5V83
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BU of 5v83 by Molmil
Structure of DCN1 bound to NAcM-HIT
Descriptor: Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5V86
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BU of 5v86 by Molmil
Structure of DCN1 bound to NAcM-OPT
Descriptor: Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017

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数据于2024-10-16公开中

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