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8SLY
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BU of 8sly by Molmil
Rat TRPV2 bound with 2 CBD ligands in nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 2, ...
Authors:Tan, X, Swartz, K.J.
Deposit date:2023-04-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cannabidiol sensitizes TRPV2 channels to activation by 2-APB.
Elife, 12, 2023
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7V6F
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BU of 7v6f by Molmil
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P
Descriptor: Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION
Authors:Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J.
Deposit date:2021-08-20
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
Descriptor: Enolase, MAGNESIUM ION, Putative gene 60 protein
Authors:Li, S, Zhang, K.
Deposit date:2022-04-26
Release date:2022-07-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
3M37
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BU of 3m37 by Molmil
Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602)
Descriptor: 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor.
J.Med.Chem., 46, 2003
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
3MOO
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BU of 3moo by Molmil
Crystal structure of the HmuO, heme oxygenase from Corynebacterium diphtheriae, in complex with azide-bound verdoheme
Descriptor: 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, AZIDE ION, Heme oxygenase, ...
Authors:Omori, K, Matsui, T, Unno, M, Ikeda-Saito, M.
Deposit date:2010-04-22
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Enzymatic ring-opening mechanism of verdoheme by the heme oxygenase: a combined X-ray crystallography and QM/MM study.
J.Am.Chem.Soc., 132, 2010
8TGN
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BU of 8tgn by Molmil
VMAT1 dimer with serotonin and reserpine
Descriptor: Chromaffin granule amine transporter, SEROTONIN, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGL
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BU of 8tgl by Molmil
VMAT1 dimer with norepinephrine and reserpine
Descriptor: Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGI
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BU of 8tgi by Molmil
VMAT1 dimer with dopamine and reserpine
Descriptor: Chromaffin granule amine transporter, L-DOPAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGM
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BU of 8tgm by Molmil
VMAT1 dimer with reserpine
Descriptor: VMAT1 dimer with reserpine, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGG
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BU of 8tgg by Molmil
VMAT1 dimer with MPP+ and reserpine
Descriptor: 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGH
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BU of 8tgh by Molmil
VMAT1 dimer with amphetamine and reserpine
Descriptor: (2S)-1-phenylpropan-2-amine, Chromaffin granule amine transporter, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGK
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BU of 8tgk by Molmil
VMAT1 dimer with histamine and reserpine
Descriptor: Chromaffin granule amine transporter, HISTAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGJ
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BU of 8tgj by Molmil
VMAT1 dimer in unbound form and with reserpine
Descriptor: VMAT1 dimer in unbound form and with reserpine, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TZS
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BU of 8tzs by Molmil
Structure of human WLS
Descriptor: Protein wntless homolog
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8TZP
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BU of 8tzp by Molmil
Structure of human Wnt7a bound to WLS and RECK
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, PALMITOLEIC ACID, Protein Wnt-7a, ...
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8TZR
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BU of 8tzr by Molmil
Structure of human Wnt3a bound to WLS and CALR
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calreticulin, PALMITOLEIC ACID, ...
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8TZO
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BU of 8tzo by Molmil
Structure of human Wnt7a bound to WLS and CALR
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, Calreticulin, ...
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
3M35
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BU of 3m35 by Molmil
Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
Descriptor: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Cationic trypsin
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
J.Med.Chem., 46, 2003
3MNV
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BU of 3mnv by Molmil
Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment
Descriptor: 1,2-ETHANEDIOL, ANTI-HIV-1 ANTIBODY 13H11 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 13H11 LIGHT CHAIN, ...
Authors:Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F.
Deposit date:2010-04-22
Release date:2010-11-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a non-neutralizing antibody to the HIV-1 gp41 membrane-proximal external region.
Nat.Struct.Mol.Biol., 17, 2010

238582

数据于2025-07-09公开中

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