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8Q6T
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BU of 8q6t by Molmil
Helical reconstruction of the relaxed thick filament from FIB milled left ventricular mouse myofibrils
Descriptor: Myosin binding protein C, cardiac, Myosin light chain 3, ...
Authors:Tamborrini, D, Raunser, S.
Deposit date:2023-08-14
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Structure of the native myosin filament in the relaxed cardiac sarcomere.
Nature, 623, 2023
8Q4G
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BU of 8q4g by Molmil
Thin filament from FIB milled relaxed left ventricular mouse myofibrils
Descriptor: Actin, alpha cardiac muscle 1, Tropomyosin alpha-1 chain
Authors:Tamborrini, D, Wang, Z, Wagner, T, Tacke, S, Stabrin, M, Grange, M, Kho, A.L, Bennet, P, Rees, M, Gautel, M, Raunser, S.
Deposit date:2023-08-06
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure of the native myosin filament in the relaxed cardiac sarcomere.
Nature, 623, 2023
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
Authors:Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
Deposit date:2012-11-28
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I11
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BU of 4i11 by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Descriptor: Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION
Authors:Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M.
Deposit date:2012-11-19
Release date:2013-03-06
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4IFN
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BU of 4ifn by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Descriptor: (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1
Authors:Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
Deposit date:2012-12-14
Release date:2013-12-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
4IFJ
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BU of 4ifj by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Descriptor: Kelch-like ECH-associated protein 1
Authors:Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
Deposit date:2012-12-14
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
To be Published
4IFL
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BU of 4ifl by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Descriptor: Nrf2 peptide, kelch-like ECH-associated protein 1
Authors:Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
Deposit date:2012-12-14
Release date:2013-12-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
5T1A
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BU of 5t1a by Molmil
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ...
Authors:Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M.
Deposit date:2016-08-18
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
1VRU
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BU of 1vru by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-04-19
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1VRT
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BU of 1vrt by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-04-19
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1RT2
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BU of 1rt2 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651
Descriptor: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D.
Deposit date:1996-03-16
Release date:1997-04-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors.
J.Med.Chem., 39, 1996
1RT1
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BU of 1rt1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442
Descriptor: 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D.
Deposit date:1996-03-16
Release date:1997-04-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors.
J.Med.Chem., 39, 1996
1REV
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BU of 1rev by Molmil
HIV-1 REVERSE TRANSCRIPTASE
Descriptor: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Ren, J, Esnouf, R, Hopkins, A, Ross, C, Jones, Y, Stammers, D, Stuart, D.
Deposit date:1995-09-17
Release date:1996-10-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design.
Structure, 3, 1995
1RTJ
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BU of 1rtj by Molmil
MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS
Descriptor: HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Ross, C, Jones, Y, Stammers, D, Stuart, D.
Deposit date:1995-05-03
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors.
Nat.Struct.Biol., 2, 1995
1RTI
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BU of 1rti by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-05-03
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1RTH
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BU of 1rth by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-05-03
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
4FZS
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BU of 4fzs by Molmil
Structure of human SNX1 BAR domain
Descriptor: Sorting nexin-1
Authors:van Weering, J.R.T, Sessions, R.B, Traer, C.J, Kloer, D.P, Bhatia, V.K, Stamou, D, Hurley, J.H, Cullen, P.J.
Deposit date:2012-07-07
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular insight into vesicle-to-tubule membrane remodeling by SNX-BAR proteins
To be Published
3LQ8
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BU of 3lq8 by Molmil
Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)
Descriptor: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2010-02-08
Release date:2010-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69, 2009
8R3Z
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BU of 8r3z by Molmil
Cryo-EM structure of the Asgard archaeal Argonaute HrAgo1 bound to a guide RNA
Descriptor: HrAgo1, MAGNESIUM ION, RNA (5'-R(P*UP*GP*AP*GP*GP*U*(MG))-3')
Authors:Finocchio, G, Swarts, D, Jinek, M.
Deposit date:2023-11-10
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:RNA-guided RNA silencing by an Asgard archaeal Argonaute.
Nat Commun, 15, 2024
4YHF
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BU of 4yhf by Molmil
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
Descriptor: (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Paavilainen, V.O, McFarland, J.M, Taunton, J.
Deposit date:2015-02-27
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat.Chem.Biol., 11, 2015
4XIT
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BU of 4xit by Molmil
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
Descriptor: 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Neubert, T.
Deposit date:2015-01-07
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6IFN
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BU of 6ifn by Molmil
Crystal structure of Type III-A CRISPR Csm complex
Descriptor: MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ...
Authors:You, L, Wang, J, Wang, Y.
Deposit date:2018-09-20
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFZ
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BU of 6ifz by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex
Descriptor: CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2019-01-23
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFR
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BU of 6ifr by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-NTR, ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Type III-A CRISPR-associated RAMP protein Csm3, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2019-01-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFU
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BU of 6ifu by Molmil
Cryo-EM structure of type III-A Csm-CTR2-dsDNA complex
Descriptor: CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019

 

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