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8UW3
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BU of 8uw3 by Molmil
Human LINE-1 retrotransposon ORF2 protein engaged with template RNA in elongation state
Descriptor: Complementary DNA, LINE-1 retrotransposable element ORF2 protein, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Thawani, A, Florez Ariza, A.J, Collins, K, Nogales, E.
Deposit date:2023-11-06
Release date:2023-12-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Template and target-site recognition by human LINE-1 in retrotransposition.
Nature, 626, 2024
8UW0
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BU of 8uw0 by Molmil
Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:X-ray-driven chemistry and conformational heterogeneity in atomic resolution crystal structures of bacterial dihydrofolate reductases
To Be Published
8UVZ
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BU of 8uvz by Molmil
Bacillus subtilis DHFR bound to NADP+ and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Bacillus subtilis DHFR bound to NADP+ and folate
To Be Published
8UVX
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BU of 8uvx by Molmil
CosR DNA bound form I
Descriptor: DNA (5'-D(*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*TP*TP*TP*GP*GP*TP*TP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*T)-3'), DNA-binding response regulator
Authors:Zhang, Z.
Deposit date:2023-11-05
Release date:2024-01-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UVU
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BU of 8uvu by Molmil
Structure of the insect gustatory receptor Gr9 from Bombyx mori in complex with D-fructose
Descriptor: Gustatory receptor, beta-D-fructofuranose, beta-D-fructopyranose
Authors:Gomes, J.V, Butterwick, J.A.
Deposit date:2023-11-04
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The molecular basis of sugar detection by an insect taste receptor.
Nature, 629, 2024
8UVT
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BU of 8uvt by Molmil
Structure of the insect gustatory receptor Gr9 from Bombyx mori
Descriptor: Gustatory receptor
Authors:Gomes, J.V, Butterwick, J.A.
Deposit date:2023-11-04
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The molecular basis of sugar detection by an insect taste receptor.
Nature, 629, 2024
8UVM
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BU of 8uvm by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
Descriptor: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
Authors:Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-03
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UVL
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BU of 8uvl by Molmil
Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site
Descriptor: 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A.
Deposit date:2023-11-03
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
8UVK
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BU of 8uvk by Molmil
CosR DNA bound form II
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*T)-3'), ...
Authors:Zhang, Z.
Deposit date:2023-11-03
Release date:2024-01-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UV3
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BU of 8uv3 by Molmil
Murine norovirus capsid protein + 1 mM MgCl2
Descriptor: Capsid protein, MAGNESIUM ION
Authors:Smith, T.J.
Deposit date:2023-11-02
Release date:2024-01-17
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:The reversible activation of norovirus by metal ions.
J.Virol., 98, 2024
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
8UUZ
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BU of 8uuz by Molmil
Campylobacter jejuni CosR apo form
Descriptor: DNA-binding response regulator
Authors:Zhang, Z.
Deposit date:2023-11-02
Release date:2024-01-31
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUX
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BU of 8uux by Molmil
Murine norovirus capsid protein in the presence of 1mM calcium
Descriptor: CALCIUM ION, Capsid protein
Authors:Smith, T.J.
Deposit date:2023-11-02
Release date:2024-01-17
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:The reversible activation of norovirus by metal ions.
J.Virol., 98, 2024
8UUW
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BU of 8uuw by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
Descriptor: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUV
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BU of 8uuv by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197
Descriptor: CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ...
Authors:Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUQ
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BU of 8uuq by Molmil
Structure of the Measles virus Fusion protein in the pre-fusion conformation with bound [FIP-HRC]2-PEG11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, [FIP-HRC]2-PEG11, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-11-01
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
8UUP
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BU of 8uup by Molmil
Structure of the Measles virus Fusion protein in the pre-fusion conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-11-01
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation
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:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUL
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BU of 8uul by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation
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:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUK
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BU of 8uuk by Molmil
Pendrin in apo
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-11-01
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
Descriptor: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024

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数据于2024-07-17公开中

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