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5HXG
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BU of 5hxg by Molmil
STM1697-FlhD complex
Descriptor: Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of STM1697-FlhD complex
To Be Published
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Descriptor: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
5JAD
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BU of 5jad by Molmil
Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Day, P.J, Woolford, A.J.-A.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAH
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BU of 5jah by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAP
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BU of 5jap by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAO
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BU of 5jao by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
1QAW
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BU of 1qaw by Molmil
Regulatory Features of the TRP Operon and the Crystal Structure of the TRP RNA-Binding Attenuation Protein from Bacillus Stearothermophilus.
Descriptor: TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
Authors:Chen, X.-P, Antson, A.A, Yang, M, Baumann, C, Dodson, E.J, Dodson, G.G, Gollnick, P.
Deposit date:1999-03-31
Release date:1999-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulatory features of the trp operon and the crystal structure of the trp RNA-binding attenuation protein from Bacillus stearothermophilus.
J.Mol.Biol., 289, 1999
6WO6
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BU of 6wo6 by Molmil
Structure of RavA (lpp0008) E38A/K39A surface entropy reduction mutant
Descriptor: RavA
Authors:Cygler, M, Chung, I.Y.W.
Deposit date:2020-04-24
Release date:2021-03-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional study of Legionella pneumophila effector RavA.
Protein Sci., 30, 2021
7BXF
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BU of 7bxf by Molmil
MvcA-Lpg2149 complex
Descriptor: Lpg2149, MvcA, PRASEODYMIUM ION
Authors:Gao, P.
Deposit date:2020-04-19
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
7BXG
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BU of 7bxg by Molmil
MavC-UBE2N-Ub complex
Descriptor: MavC, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N
Authors:Gao, P, Wang, Y.
Deposit date:2020-04-19
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
7BXH
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BU of 7bxh by Molmil
MavC-Lpg2149 complex
Descriptor: Lpg2149, MavC
Authors:Gao, P, Wang, Y.
Deposit date:2020-04-19
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
6CBC
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BU of 6cbc by Molmil
Crystal structure of an N-terminal fragment of Vps13.
Descriptor: Vacuolar protein sorting-associated protein
Authors:Kumar, N, Horenkamp, F.A, Reinisch, K.M.
Deposit date:2018-02-02
Release date:2018-08-08
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:VPS13A and VPS13C are lipid transport proteins differentially localized at ER contact sites.
J. Cell Biol., 217, 2018
5TR4
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BU of 5tr4 by Molmil
Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243
Descriptor: Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
Authors:Sintchak, M.D.
Deposit date:2016-10-25
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
6X5A
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BU of 6x5a by Molmil
The mouse cGAS catalytic domain binding to human nucleosome that purified from HEK293T cells
Descriptor: Cyclic GMP-AMP synthase, DNA (natural), Histone H2A type 1, ...
Authors:Pengbiao, X, Pingwei, L, Baoyu, Z.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
6X59
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BU of 6x59 by Molmil
The mouse cGAS catalytic domain binding to human assembled nucleosome
Descriptor: Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ...
Authors:Pengbiao, X, Pingwei, L, Baoyu, Z.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
8HRB
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BU of 8hrb by Molmil
Structure of tetradecameric RdrA ring in RNA-loading state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*GP*UP*CP*AP*UP*CP*GP*CP*UP*GP*GP*AP*C)-3')
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
8HRA
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BU of 8hra by Molmil
Structure of heptameric RdrA ring in RNA-loading state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase, RNA (5'-R(P*GP*UP*CP*CP*AP*GP*CP*GP*UP*CP*AP*UP*CP*GP*CP*UP*GP*GP*AP*C)-3')
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
8HRC
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BU of 8hrc by Molmil
Structure of dodecameric RdrB cage
Descriptor: Adenosine deaminase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
8HR9
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BU of 8hr9 by Molmil
Structure of tetradecameric RdrA ring
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
8HR8
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BU of 8hr8 by Molmil
Structure of heptameric RdrA ring
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
8HR7
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BU of 8hr7 by Molmil
Structure of RdrA-RdrB complex
Descriptor: Adenosine deaminase, Archaeal ATPase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
6LNA
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BU of 6lna by Molmil
YdiU complex with AMPNPP and Mn2+
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, B, Yang, Y, Ma, Y.
Deposit date:2019-12-28
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
8TXE
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BU of 8txe by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 5
Descriptor: (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
Descriptor: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
Descriptor: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023

220113

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