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7X4R
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BU of 7x4r by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase
Descriptor: Glutamate decarboxylase
Authors:Liu, S, Wang, Y, Du, G, Wen, B, Xin, F.
Deposit date:2022-03-03
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple motifs
To Be Published
5JQ1
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BU of 5jq1 by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
6WVD
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BU of 6wvd by Molmil
Human JAGN1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Green fluorescent protein, Protein jagunal homolog 1 chimera
Authors:Yang, Y, Liu, S, Li, W.
Deposit date:2020-05-05
Release date:2021-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
4WHU
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BU of 4whu by Molmil
BROMO domain of CREB binding protein
Descriptor: 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, CREB-binding protein
Authors:Liu, S.
Deposit date:2014-09-23
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
8F5J
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BU of 8f5j by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-14
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F5F
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BU of 8f5f by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-14
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.149 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F5S
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BU of 8f5s by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-15
Release date:2023-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8CUH
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BU of 8cuh by Molmil
Crystal structure of human TEAD2 complexed with its inhibitor TM2.
Descriptor: 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide, Transcriptional enhancer factor TEF-4
Authors:Liu, S, Luo, X.
Deposit date:2022-05-17
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode.
Elife, 11, 2022
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
6LA5
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BU of 6la5 by Molmil
Cryo-EM structure of echovirus 11 complexed with its attaching receptor CD55 at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-12
Release date:2020-10-07
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LB1
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BU of 6lb1 by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-13
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LA7
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BU of 6la7 by Molmil
Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5
Descriptor: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-12
Release date:2020-10-07
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LA3
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BU of 6la3 by Molmil
Cryo-EM structure of full echovirus 11 particle at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-11
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LBO
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BU of 6lbo by Molmil
Cryo-EM structure of echovirus 11 empty particle at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LAO
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BU of 6lao by Molmil
Cryo-EM structure of echovirus 11 complexed with its attaching receptor CD55 at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-12
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LBQ
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BU of 6lbq by Molmil
Cryo-EM structure of echovirus 11 empty particle at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LA4
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BU of 6la4 by Molmil
Cryo-EM structure of full echovirus 11 particle at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-11
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
3JSI
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BU of 3jsi by Molmil
Human phosphodiesterase 9 in complex with inhibitor
Descriptor: 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Liu, S.
Deposit date:2009-09-10
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy.
J.Med.Chem., 52, 2009
6LA6
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BU of 6la6 by Molmil
Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4
Descriptor: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-12
Release date:2020-10-07
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LAP
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BU of 6lap by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-13
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
3JSW
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BU of 3jsw by Molmil
Human PDE9 in complex with selective inhibitor
Descriptor: 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Liu, S.
Deposit date:2009-09-11
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy.
J.Med.Chem., 52, 2009
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
5V03
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BU of 5v03 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: CALCIUM ION, Calmodulin, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018

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數據於2024-05-15公開中

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