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8S3R
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BU of 8s3r by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7
Descriptor: 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Pala, D, Bruno, P, Capelli, A.M, Biagetti, M.
Deposit date:2024-02-20
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.
J.Med.Chem., 67, 2024
8S3X
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BU of 8s3x by Molmil
LIM Domain Kinase 2 (LIMK2) bound to compound 52
Descriptor: 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2
Authors:Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S.
Deposit date:2024-02-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:LIM Domain Kinase 2 (LIMK2) bound to compound 52
To Be Published
8S51
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BU of 8s51 by Molmil
RNA polymerase II core initially transcribing complex with an ordered RNA of 8 nt
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P.
Deposit date:2024-02-22
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Three-step mechanism of promoter escape by RNA polymerase II.
Mol.Cell, 84, 2024
8S54
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BU of 8s54 by Molmil
RNA polymerase II early elongation complex bound to TFIIE and TFIIF - state b (composite structure)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Zhan, Y, Grabber, F, Oberbeckmann, E, Dienemann, C, Cramer, P.
Deposit date:2024-02-22
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Three-step mechanism of promoter escape by RNA polymerase II.
Mol.Cell, 84, 2024
8S5B
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BU of 8s5b by Molmil
Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand
Descriptor: Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Authors:Snow, A.J.D, Sharma, M, Davies, G.J.
Deposit date:2024-02-23
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
8S6H
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BU of 8s6h by Molmil
Cryo-EM Structure of the R388 plasmid conjugative pilus reveals a helical polymer characterised by an unusual pilin/phospholipid binary complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, TrwL protein
Authors:Vadakkepat, A.K, Waksman, G, Redzej, A.
Deposit date:2024-02-27
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM structure of the R388 plasmid conjugative pilus reveals a helical polymer characterized by an unusual pilin/phospholipid binary complex.
Structure, 2024
8S8C
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BU of 8s8c by Molmil
Structure of Kras in complex with inhibitor MK-1084
Descriptor: (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Day, P.J, Cleasby, A.
Deposit date:2024-03-06
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
8S9S
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BU of 8s9s by Molmil
Structure of the human ER membrane protein complex (EMC) in GDN
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tomaleri, G.P, Nguyen, V.N, Voorhees, R.M.
Deposit date:2023-03-30
Release date:2023-05-17
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A selectivity filter in the ER membrane protein complex limits protein misinsertion at the ER.
J.Cell Biol., 222, 2023
8SAU
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BU of 8sau by Molmil
CryoEM structure of DH270.4-CH848.10.17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.10.17 gp120, CH848.10.17 gp41, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
8SAZ
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BU of 8saz by Molmil
CryoEM structure of DH270.I5.6-CH848.10.17
Descriptor: CH848.10.17.SOSIP gp41, DH270.I5.6 variable heavy chain, DH270.I5.6 variable light chain, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
8SB4
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BU of 8sb4 by Molmil
CryoEM structure of DH270.1-CH848.10.17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.10.17 gp120, CH848.10.17 gp41, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
8SCB
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BU of 8scb by Molmil
Terminating ribosome with SRI-41315
Descriptor: (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione, 18S_rRNA, 28S_rRNA, ...
Authors:Yip, M.C.J, Coelho, J.P.L, Oltion, K, Tauton, J, Shao, S.
Deposit date:2023-04-05
Release date:2023-12-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The eRF1 degrader SRI-41315 acts as a molecular glue at the ribosomal decoding center.
Nat.Chem.Biol., 20, 2024
8SEB
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BU of 8seb by Molmil
Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SEN
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BU of 8sen by Molmil
Cryo-EM Structure of RyR1
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEO
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BU of 8seo by Molmil
Cryo-EM Structure of RyR1 + ATP-gamma-S
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEP
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BU of 8sep by Molmil
Cryo-EM Structure of RyR1 + ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEQ
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BU of 8seq by Molmil
Cryo-EM Structure of RyR1 + AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SER
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BU of 8ser by Molmil
Cryo-EM Structure of RyR1 + Adenosine
Descriptor: ADENOSINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SES
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BU of 8ses by Molmil
Cryo-EM Structure of RyR1 + Adenine
Descriptor: ADENINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SET
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BU of 8set by Molmil
Cryo-EM Structure of RyR1 + cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SF7
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BU of 8sf7 by Molmil
48-nm doublet microtubule from Tetrahymena thermophila strain MEC17
Descriptor: CFAM166A, CFAM166B, CFAM166C, ...
Authors:Black, C.S, Kubo, S, Yang, S.K, Bui, K.H.
Deposit date:2023-04-10
Release date:2024-05-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Effect of alpha-tubulin acetylation on the doublet microtubule structure.
Elife, 12, 2024
8SGM
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BU of 8sgm by Molmil
Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Chan Yew Poa, K.T.O, Le Nours, J, Rossjohn, J.
Deposit date:2023-04-12
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.50000221525 Å)
Cite:Semi-invariant human type II Natural Killer T cells recognise CD1d independently of bound lipids.
To Be Published
8SJN
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BU of 8sjn by Molmil
[3T13] Self-assembling left-handed tensegrity triangle with 13 interjunction base pairs and R3 symmetry
Descriptor: DNA (5'-D(*CP*AP*GP*CP*AP*TP*CP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*TP*GP*TP*GP*GP*CP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*GP*AP*G)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (7.3 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJO
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BU of 8sjo by Molmil
[3T14] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and R3 symmetry
Descriptor: DNA (5'-D(P*CP*AP*CP*GP*TP*GP*GP*AP*CP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*AP*GP*CP*TP*CP*AP*GP*CP*CP*TP*GP*AP*CP*TP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*TP*CP*TP*CP*CP*AP*CP*GP*T)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (7.08 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJT
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BU of 8sjt by Molmil
[3T14+10] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and a 10 bp linker with R3 symmetry
Descriptor: DNA (5'-D(*AP*CP*CP*TP*CP*CP*TP*GP*AP*GP*GP*TP*CP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*AP*CP*TP*CP*TP*GP*CP*TP*A)-3'), DNA (5'-D(*GP*TP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (9.38 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024

223532

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