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7AVZ
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BU of 7avz by Molmil
MerTK kinase domain in complex with a bisaminopyrimidine inhibitor
Descriptor: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer
Authors:Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AW3
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BU of 7aw3 by Molmil
MerTK kinase domain with type 1 inhibitor from a DNA-encoded library
Descriptor: 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7WZ6
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BU of 7wz6 by Molmil
Crystal structure of MyoD-E47
Descriptor: Isoform E47 of Transcription factor E2-alpha, Myoblast determination protein 1
Authors:Zhong, J, Huang, Y, Ma, J.
Deposit date:2022-02-17
Release date:2022-06-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of the bHLH domains of MyoD-E47 heterodimer.
Biochem.Biophys.Res.Commun., 621, 2022
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
Descriptor: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-04-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
6JO8
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BU of 6jo8 by Molmil
The complex structure of CHIKV envelope glycoprotein bound to human MXRA8
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ...
Authors:Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G.
Deposit date:2019-03-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.495 Å)
Cite:Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
6JJU
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BU of 6jju by Molmil
Structure of Ca2+ ATPase
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Inoue, M, Sakuta, N, Watanabe, S, Inaba, K.
Deposit date:2019-02-27
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay.
Cell Rep, 27, 2019
7X7R
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BU of 7x7r by Molmil
Cryo-EM structure of a bacterial protein
Descriptor: RAMP superfamily protein, RNA (36-MER), RNA (5'-R(P*AP*GP*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*G)-3'), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-10
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7X8A
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BU of 7x8a by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-11
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7BBZ
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BU of 7bbz by Molmil
Crystal structure of apo aldo-keto reductase from Agrobacterium tumefaciens
Descriptor: Aryl-alcohol dehydrogenase
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BC0
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BU of 7bc0 by Molmil
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a binary complex with NADPH
Descriptor: Aryl-alcohol dehydrogenase, PHOSPHATE ION
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BBY
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BU of 7bby by Molmil
Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
Descriptor: Aryl-alcohol dehydrogenase, PHOSPHATE ION
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BC1
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BU of 7bc1 by Molmil
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose
Descriptor: Aryl-alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alpha-D-glucopyranose
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YJ0
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BU of 7yj0 by Molmil
Structural basis of oxepinone formation by a flavin-monooxygenase VibO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, VibO
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2022-07-18
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A flavin-monooxygenase catalyzing oxepinone formation and the complete biosynthesis of vibralactone.
Nat Commun, 14, 2023
6ZOY
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BU of 6zoy by Molmil
Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
7X7A
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BU of 7x7a by Molmil
Cryo-EM structure of SbCas7-11 in complex with crRNA and target RNA
Descriptor: RAMP superfamily protein, RNA (33-MER), ZINC ION
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-09
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7XC7
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BU of 7xc7 by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-23
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7XSS
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BU of 7xss by Molmil
Structure of Craspase-CTR
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zang, L.X.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7WH9
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BU of 7wh9 by Molmil
holo structure of emodin 1-OH O-methyltransferase complex with emodin and S-Adenosyl-L-homocysteine
Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, O-methyltransferase gedA, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Liang, Y.J, Lu, X.F, Qi, F.F, Xue, Y.Y.
Deposit date:2021-12-30
Release date:2023-01-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Characterization and Structural Analysis of Emodin- O -Methyltransferase from Aspergillus terreus.
J.Agric.Food Chem., 70, 2022
6JO7
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BU of 6jo7 by Molmil
Crystal structure of mouse MXRA8
Descriptor: Matrix remodeling-associated protein 8
Authors:Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F.
Deposit date:2019-03-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
7XYD
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BU of 7xyd by Molmil
Crystal structure of TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-01
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7Y0F
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BU of 7y0f by Molmil
Crystal structure of TMPRSS2 in complex with UK-371804
Descriptor: 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-04
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7Y0E
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BU of 7y0e by Molmil
Crystal structure of TMPRSS2 in complex with Camostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H.
Deposit date:2022-06-04
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
Descriptor: NFkB inhibitor, T-lymphocyte activation antigen CD86
Authors:Wang, Y, Yang, S, Zhao, H, Deng, Z.
Deposit date:2023-01-04
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXC
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BU of 8hxc by Molmil
Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2
Descriptor: NFkB inhibitor, T-lymphocyte activation antigen CD86
Authors:Wang, Y, Yang, S, Zhao, H, Deng, Z.
Deposit date:2023-01-04
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
6IR2
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BU of 6ir2 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM2
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021

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数据于2024-08-28公开中

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