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PDB: 438 results

6P2J
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BU of 6p2j by Molmil
Dimeric structure of ACAT1
Descriptor: S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1
Authors:Yan, N, Qian, H.W.
Deposit date:2019-05-21
Release date:2020-05-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
6P2P
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BU of 6p2p by Molmil
Tetrameric structure of ACAT1
Descriptor: S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1
Authors:Yan, N, Qian, H.W.
Deposit date:2019-05-21
Release date:2020-05-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
6W5S
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BU of 6w5s by Molmil
NPC1 structure in GDN micelles at pH 8.0
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5V
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BU of 6w5v by Molmil
NPC1-NPC2 complex structure at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5R
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BU of 6w5r by Molmil
NPC1 structure in Nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6VX3
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BU of 6vx3 by Molmil
NaChBac in GDN
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein
Authors:Yan, N, Gao, S.
Deposit date:2020-02-21
Release date:2020-06-24
Last modified:2020-07-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VXO
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BU of 6vxo by Molmil
NaChBac-Nav1.7VSDII chimera in nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, NaChBac-Nav1.7VSDII chimera
Authors:Yan, N, Gao, S.
Deposit date:2020-02-22
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
2A5Y
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BU of 2a5y by Molmil
Structure of a CED-4/CED-9 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Apoptosis regulator ced-9, MAGNESIUM ION, ...
Authors:Yan, N, Liu, Q, Hao, Q, Gu, L, Shi, Y.
Deposit date:2005-07-01
Release date:2005-10-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the CED-4-CED-9 complex provides insights into programmed cell death in Caenorhabditis elegans.
Nature, 437, 2005
7RTP
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BU of 7rtp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with urea stabilizer 20 [1-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-3-(pyridin-3-ylmethyl)urea]
Descriptor: JTO light chain, N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-08-13
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site.
Bioorg.Med.Chem.Lett., 60, 2022
6N7G
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BU of 6n7g by Molmil
Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form I)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-11-27
Release date:2019-05-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
6N7K
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BU of 6n7k by Molmil
Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-11-27
Release date:2019-05-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
4GC0
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BU of 4gc0 by Molmil
The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to 6-bromo-6-deoxy-D-glucose
Descriptor: 6-bromo-6-deoxy-beta-D-glucopyranose, D-xylose-proton symporter, nonyl beta-D-glucopyranoside
Authors:Yan, N, Sun, L.F, Zeng, X, Yan, C.Y.
Deposit date:2012-07-28
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
3NR4
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BU of 3nr4 by Molmil
Pyrabactin-bound PYL2
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2
Authors:Yan, N.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
7MIX
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BU of 7mix by Molmil
Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution
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, Gao, S, Yao, X.
Deposit date:2021-04-18
Release date:2021-07-07
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
Nature, 596, 2021
7MIY
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BU of 7miy by Molmil
Human N-type voltage-gated calcium channel Cav2.2 at 3.1 Angstrom resolution
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, Gao, S, Yao, X.
Deposit date:2021-04-18
Release date:2021-07-07
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
Nature, 596, 2021
8FO3
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BU of 8fo3 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with (E)-3-nitro-4-(2-(2-phenylpropylidene)hydrazineyl)benzenesulfonamide
Descriptor: 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FO4
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BU of 8fo4 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 6-methyl-2-(2-((1E,2E)-3-(2-nitrophenyl)allylidene)hydrazineyl)pyrimidin-4-ol
Descriptor: 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FO5
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BU of 8fo5 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one
Descriptor: 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
3NEF
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BU of 3nef by Molmil
High-resolution pyrabactin-bound PYL1 structure
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1
Authors:Yan, N.
Deposit date:2010-06-08
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
3NEG
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BU of 3neg by Molmil
Pyrabactin-bound PYL1 structure in the open and close forms
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION
Authors:Yan, N.
Deposit date:2010-06-08
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
7LMO
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BU of 7lmo by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 34 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione]
Descriptor: (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMR
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BU of 7lmr by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 63 [4-methyl-3-(morpholinomethyl)-7-(2-phenylpropoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMN
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BU of 7lmn by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 26 [2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate]
Descriptor: 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMP
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BU of 7lmp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione]
Descriptor: 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMQ
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BU of 7lmq by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 62 [4-methyl-3-(morpholinomethyl)-7-(1-phenylethoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021

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