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6CUP
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BU of 6cup by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
5TAQ
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BU of 5taq by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 3&4)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6HZ2
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BU of 6hz2 by Molmil
SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL
Descriptor: Maximins 3/H11 type 2
Authors:Benetti, S, Timmons, P.B, Hewage, C.M.
Deposit date:2018-10-22
Release date:2019-02-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR model structure of the antimicrobial peptide maximin 3.
Eur.Biophys.J., 48, 2019
5U9G
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BU of 5u9g by Molmil
3.2 A cryo-EM ArfA-RF2 ribosome rescue complex (Structure I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Demo, G, Svidritskiy, E, Madireddy, R, Diaz-Avalos, R, Grant, T, Grigorieff, N, Sousa, D, Korostelev, A.A.
Deposit date:2016-12-16
Release date:2017-03-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of ribosome rescue by ArfA and RF2.
Elife, 6, 2017
1R8N
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BU of 1r8n by Molmil
The Crystal Structure of the Kunitz (STI) Type Inhibitor from Seeds of Delonix regia
Descriptor: Kunitz trypsin inhibitor
Authors:Krauchenco, S, Pando, S.C, Marangoni, S, Polikarpov, I.
Deposit date:2003-10-27
Release date:2004-05-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the Kunitz (STI)-type inhibitor from Delonix regia seeds.
Biochem.Biophys.Res.Commun., 312, 2003
5UA8
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BU of 5ua8 by Molmil
Ocellatin-F1, solution structure in SDS micelle by NMR spectroscopy
Descriptor: Ocellatin-F1
Authors:Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M.
Deposit date:2016-12-19
Release date:2017-03-29
Last modified:2018-04-18
Method:SOLUTION NMR
Cite:NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus.
Peptides, 103, 2018
1RUV
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BU of 1ruv by Molmil
RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION X-RAY STRUCTURE (1.3 A)
Descriptor: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL, URIDINE-2',3'-VANADATE
Authors:Ladner, J.E, Wladkowski, B, Svensson, L.A, Sjolin, L, Gilliland, G.L.
Deposit date:1995-07-27
Release date:1997-04-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray structure of a ribonuclease A-uridine vanadate complex at 1.3 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
5T7I
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BU of 5t7i by Molmil
Crystal structure of galectin-8N in complex with LNnT
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bohari, M.H, Yu, X, Blanchard, H.
Deposit date:2016-09-05
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5T9S
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BU of 5t9s by Molmil
Structure of rabbit RyR1 (Ca2+-only dataset, class 4)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TB1
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BU of 5tb1 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 1)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5T9M
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BU of 5t9m by Molmil
Structure of rabbit RyR1 (Ca2+-only dataset, class 1)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TAY
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BU of 5tay by Molmil
Structure of rabbit RyR1 (ryanodine dataset, class 2)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5T9R
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BU of 5t9r by Molmil
Structure of rabbit RyR1 (Ca2+-only dataset, class 3)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TB0
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BU of 5tb0 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, all particles)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TAS
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BU of 5tas by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5UZ4
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BU of 5uz4 by Molmil
The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly
Descriptor: 16S RIBOSOMAL RNA, 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, 30S ribosomal protein S10, ...
Authors:Razi, A, Guarne, A, Ortega, J.
Deposit date:2017-02-24
Release date:2017-04-19
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CUR
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BU of 6cur by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CYZ
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BU of 6cyz by Molmil
Mycobacterial homoserine kinase ThrB in complex with AMPPNP
Descriptor: CHLORIDE ION, Homoserine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Li, J, Korotkov, K.V.
Deposit date:2018-04-07
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mycobacterial homoserine kinase ThrB
To Be Published
6CUO
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BU of 6cuo by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CYG
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BU of 6cyg by Molmil
Hsp90-alpha N-domain bound to NEOCA
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Huck, J.D, Campomizzi, C, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.503922 Å)
Cite:NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
6CYH
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BU of 6cyh by Molmil
Hsp90-alpha N-domain bound to NEACA
Descriptor: 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Huck, J.D, Campomizzi, C, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
5T9V
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BU of 5t9v by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TAX
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BU of 5tax by Molmil
Structure of rabbit RyR1 (ryanodine dataset, class 1)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6D5E
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BU of 6d5e by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine, CHLORIDE ION, FORMIC ACID, ...
Authors:Phan, J, Hodges, T, Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D55
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BU of 6d55 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Hodges, T, Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018

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