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7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
Descriptor: Capsid protein VP1
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
Descriptor: Capsid protein
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
Descriptor: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MF0
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BU of 5mf0 by Molmil
Crystal structure of Smad4-MH1 bound to the GGCCG site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MEZ
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BU of 5mez by Molmil
Crystal structure of Smad4-MH1 bound to the GGCT site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Descriptor: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Payandeh, J, Koth, C.M, Verma, V.A.
Deposit date:2021-09-30
Release date:2022-03-09
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.978 Å)
Cite:Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
5NER
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BU of 5ner by Molmil
Localised reconstruction of alpha v beta 6 bound to Foot and Mouth Disease Virus O PanAsia - Pose A prime.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
Authors:Kotecha, A, Stuart, D.
Deposit date:2017-03-11
Release date:2017-06-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NEM
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BU of 5nem by Molmil
Localised reconstruction of alpha v beta 6 bound to Foot and Mouth Disease Virus O PanAsia - Pose A.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
Authors:Kotecha, A, Stuart, D.
Deposit date:2017-03-10
Release date:2017-06-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
5NEJ
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BU of 5nej by Molmil
CryoEM Structure of Foot and Mouth Disease Virus O1 Manisa
Descriptor: O1 Manisa VP1, O1 Manisa VP2, O1 Manisa VP3
Authors:Kotecha, A, Stuart, D.
Deposit date:2017-03-10
Release date:2017-06-21
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NET
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BU of 5net by Molmil
Localised Reconstruction of Integrin alpha V beta 6 bound to Foot and Mouth Disease Virus O1 Manisa - Pose A.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
Authors:Kotecha, A, Stuart, D.
Deposit date:2017-03-11
Release date:2017-06-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L.F.
Deposit date:2020-03-29
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
5OC9
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BU of 5oc9 by Molmil
Crystal Structure of human TMEM16K / Anoctamin 10
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, Anoctamin-10, CALCIUM ION
Authors:Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
8JJ8
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BU of 8jj8 by Molmil
Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist
Descriptor: Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-29
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8JJL
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BU of 8jjl by Molmil
cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist
Descriptor: Beta-2 adrenergic receptor,Soluble cytochrome b562, Olodaterol
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8JJO
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BU of 8jjo by Molmil
Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-31
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8KA8
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BU of 8ka8 by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F.
Deposit date:2023-08-02
Release date:2024-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
8KC2
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BU of 8kc2 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.3 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F.
Deposit date:2023-08-05
Release date:2024-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
3NGQ
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BU of 3ngq by Molmil
Crystal structure of the human CNOT6L nuclease domain
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION
Authors:Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
Deposit date:2010-06-13
Release date:2010-07-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
3NGN
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BU of 3ngn by Molmil
Crystal structure of the human CNOT6L nuclease domain in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like
Authors:Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
Deposit date:2010-06-12
Release date:2010-07-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
3NGO
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BU of 3ngo by Molmil
Crystal structure of the human CNOT6L nuclease domain in complex with poly(A) DNA
Descriptor: 5'-D(*AP*AP*AP*A)-3', CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION
Authors:Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z.
Deposit date:2010-06-12
Release date:2010-07-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
Descriptor: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
Descriptor: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016

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