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8DII
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BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
5VVR
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BU of 5vvr by Molmil
Ternary complex of RNA Pol II, transcription scaffold and Rad26
Descriptor: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
Authors:Lahiri, I, Leschziner, A.E.
Deposit date:2017-05-19
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural basis for the initiation of eukaryotic transcription-coupled DNA repair.
Nature, 551, 2017
6D92
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BU of 6d92 by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-A non-canonical pair at position 3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*AP*C)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-27
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6D8P
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BU of 6d8p by Molmil
Ternary RsAgo Complex Containing Guide RNA Paired with Target DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-26
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6D9L
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BU of 6d9l by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair
Descriptor: DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-30
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6D95
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BU of 6d95 by Molmil
Ternary RsAgo Complex with Guide RNA Paired and Target DNA containing A8-A8' Non-Canonical Pair
Descriptor: DNA 24-Mer, MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*AP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-27
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6D9K
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BU of 6d9k by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-G Non-canonical Pair
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*GP*GP*CP*AP*GP*TP*AP*AP*C)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-30
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
5CJH
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BU of 5cjh by Molmil
Crystal Structure of Eukaryotic Oxoiron MagKatG2 at pH 8.5
Descriptor: Catalase-peroxidase 2, HYDROXIDE ION, Peroxidized Heme
Authors:Gasselhuber, B, Obinger, C, Fita, I, Carpena, X.
Deposit date:2015-07-14
Release date:2015-09-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Eukaryotic Catalase-Peroxidase: The Role of the Trp-Tyr-Met Adduct in Protein Stability, Substrate Accessibility, and Catalysis of Hydrogen Peroxide Dismutation.
Biochemistry, 54, 2015
5KS5
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BU of 5ks5 by Molmil
Structure of the C-terminal Helical Repeat Domain of Elongation Factor 2 Kinase
Descriptor: Eukaryotic elongation factor 2 kinase
Authors:Piserchio, A, Will, N, Snyder, I, Ferguson, S.B, Giles, D.H, Dalby, K.N, Ghose, R.
Deposit date:2016-07-07
Release date:2016-09-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase.
Biochemistry, 55, 2016
8FNY
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BU of 8fny by Molmil
Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-28
Release date:2023-05-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
3IIQ
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BU of 3iiq by Molmil
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor
Descriptor: 10-METHYLUNDECANOIC ACID, 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine, ACETONITRILE, ...
Authors:Paetzel, M.
Deposit date:2009-08-03
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Analysis of Bacterial Signal Peptidase in Ternary Complex with Arylomycin A2 and a Beta-Sultam Inhibitor.
Biochemistry, 48, 2009
4V8Y
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BU of 4v8y by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
3MP3
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BU of 3mp3 by Molmil
Crystal Structure of Human Lyase in complex with inhibitor HG-CoA
Descriptor: (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-HYDROXYPENTANEDIOIC ACID, Hydroxymethylglutaryl-CoA lyase, ...
Authors:Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P.
Deposit date:2010-04-24
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes.
J.Biol.Chem., 285, 2010
7UL8
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BU of 7ul8 by Molmil
[T:Au+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2022-04-04
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4.22 Å)
Cite:Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
7NE8
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BU of 7ne8 by Molmil
Tick salivary protein BSAP1
Descriptor: tick salivary protein BSAP1
Authors:Denisov, S.S, Ippel, J.H, Castoldi, E, Hackeng, T.M, Dijkgraaf, I.
Deposit date:2021-02-03
Release date:2021-06-16
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Molecular basis of anticoagulant and anticomplement activity of the tick salivary protein Salp14 and its homologs.
J.Biol.Chem., 297, 2021
4WJT
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BU of 4wjt by Molmil
Stationary Phase Survival Protein YuiC from B.subtilis complexed with NAG
Descriptor: (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
6RD9
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BU of 6rd9 by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6RDF
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BU of 6rdf by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 3, monomer-masked refinement
Descriptor: ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-2: Polytomella F-ATP synthase associated subunit 2, ASA-9: Polytomella F-ATP synthase associated subunit 9, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6RDC
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BU of 6rdc by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 2, composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6RDB
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BU of 6rdb by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, focussed refinement of F1 head and rotor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6RDE
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BU of 6rde by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 2, focussed refinement of F1 head and rotor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6RDG
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BU of 6rdg by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 3, focussed refinement of F1 head and rotor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019

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數據於2025-07-09公開中

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