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3V8S
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BU of 3v8s by Molmil
Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18)
Descriptor: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1
Authors:Martin, M.P, Zhu, J.-Yi, Schonbrunn, E.
Deposit date:2011-12-23
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.
J.Med.Chem., 55, 2012
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
Descriptor: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
Authors:Wang, J.W.
Deposit date:2022-11-12
Release date:2023-02-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
7WBZ
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BU of 7wbz by Molmil
Crystal structure of the SARS-Cov-2 RBD in complex with Fab 2303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2303 heavy chain, 2303 light chain, ...
Authors:Xiang, Y, Ma, B.
Deposit date:2021-12-17
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Conformational flexibility in neutralization of SARS-CoV-2 by naturally elicited anti-SARS-CoV-2 antibodies.
Commun Biol, 5, 2022
7W9S
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BU of 7w9s by Molmil
Crystal structure of the enterovirus 71 polymerase elongation complex (C1S3 form)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ...
Authors:Wang, M, Gong, P.
Deposit date:2021-12-10
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of a pre-chemistry viral RNA-dependent RNA polymerase suggests participation of two basic residues in catalysis.
Nucleic Acids Res., 50, 2022
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
Descriptor: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
Authors:LIU, S, HAN, X, LUO, X.
Deposit date:2018-02-09
Release date:2020-07-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
6W7F
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BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
Descriptor: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
8HXP
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BU of 8hxp by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXE
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BU of 8hxe by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase L1 type 3, THIOCYANATE ION, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXN
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BU of 8hxn by Molmil
Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXO
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BU of 8hxo by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-isobutylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXU
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BU of 8hxu by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-pentylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXW
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BU of 8hxw by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-heptylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY2
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BU of 8hy2 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY6
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BU of 8hy6 by Molmil
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXI
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BU of 8hxi by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1 type 3, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY1
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BU of 8hy1 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(thiophen-2-ylmethyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HX5
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BU of 8hx5 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(4-methoxybenzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-04
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXV
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BU of 8hxv by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-hexylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HYD
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BU of 8hyd by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8ILX
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BU of 8ilx by Molmil
mCherry-LaM3 complex
Descriptor: LAM3, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8IM1
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BU of 8im1 by Molmil
mCherry-LaM1 complex
Descriptor: LaM1, MCherry fluorescent protein, SULFATE ION
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8Y2E
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BU of 8y2e by Molmil
Cryo-EM structure of human dopamine transporter in complex with benztropine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter, benztropine
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2C
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BU of 8y2c by Molmil
Cryo-EM structure of human dopamine transporter in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2F
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BU of 8y2f by Molmil
Cryo-EM structure of human dopamine transporter in complex with GBR12909
Descriptor: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2G
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BU of 8y2g by Molmil
Cryo-EM structure of human dopamine transporter in complex with methylphenidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024

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