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8UQ3
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BU of 8uq3 by Molmil
Structure of human RyR2-S2808D in the closed state in the presence of ARM210
Descriptor: 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders
To Be Published
8UQ2
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BU of 8uq2 by Molmil
Structure of human RyR2-S2808D in the subprimed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Miotto, M.C, Marks, A.R.
Deposit date:2023-10-23
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis for ryanodine receptor type 2 leak in heart failure and arrhythmogenic disorders
To Be Published
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
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
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
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
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
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
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
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
8QMO
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BU of 8qmo by Molmil
Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J.
Deposit date:2023-09-24
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
8PPZ
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BU of 8ppz by Molmil
Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Meyners, C, Deutscher, R.C.E, Hausch, F.
Deposit date:2023-07-10
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
8POD
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BU of 8pod by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
Descriptor: 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ...
Authors:Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N.
Deposit date:2023-07-04
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
To Be Published
8PJA
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BU of 8pja by Molmil
FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Charalampidou, A, Hausch, F.
Deposit date:2023-06-23
Release date:2024-03-06
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
8PJ8
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BU of 8pj8 by Molmil
FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Charalampidou, A, Hausch, F.
Deposit date:2023-06-23
Release date:2024-03-06
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
8PDF
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BU of 8pdf by Molmil
FKBP12 in complex with PROTAC 6a2
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Meyners, C, Walz, M, Geiger, T.M, Hausch, F.
Deposit date:2023-06-12
Release date:2023-11-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024
8PC2
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BU of 8pc2 by Molmil
SelDeg51 in complex with FKBP51FK1 domain and pVHL:EloB:EloC
Descriptor: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Meyners, C, Walz, M, Geiger, T.M, Hausch, F.
Deposit date:2023-06-09
Release date:2023-11-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024
8P42
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BU of 8p42 by Molmil
Full length structure of TcMIP with bound inhibitor NJS227.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-19
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P3D
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BU of 8p3d by Molmil
Full length structure of TcMIP with bound inhibitor NJS224.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide, SODIUM ION, peptidylprolyl isomerase
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P3C
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BU of 8p3c by Molmil
Full length structure of BpMIP with bound inhibitor NJS227.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8JGA
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BU of 8jga by Molmil
Cryo-EM structure of Mi3 fused with FKBP
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Zhang, H.W, Kang, W, Xue, C.
Deposit date:2023-05-20
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
8JD4
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BU of 8jd4 by Molmil
Cryo-EM structure of G protein-free mGlu2-mGlu4 heterodimer in Acc state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 2,Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-05-12
Release date:2023-06-21
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
8JD2
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BU of 8jd2 by Molmil
Cryo-EM structure of G protein-free mGlu2-mGlu3 heterodimer in Acc state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 2,Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-05-12
Release date:2023-06-21
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
8JD1
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BU of 8jd1 by Molmil
Cryo-EM structure of mGlu2-mGlu3 heterodimer in Rco state
Descriptor: CHOLESTEROL, GLUTAMIC ACID, Metabotropic glutamate receptor 2,Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-05-12
Release date:2023-06-21
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
8JD0
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BU of 8jd0 by Molmil
Cryo-EM structure of mGlu2-mGlu3 heterodimer in presence of NAM563
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, CHOLESTEROL, ...
Authors:Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Lin, S, Zhao, Q, Wu, B.
Deposit date:2023-05-12
Release date:2023-06-21
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023

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PDB entries from 2024-07-10

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