6QGX
 
 | | Crystal structure of E.coli BamA beta-barrel in complex with nanobody F7 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoF7, Outer membrane protein assembly factor BamA | | Authors: | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | | Deposit date: | 2019-01-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
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6QGY
 | | Crystal structure of E.coli BamA beta-barrel in complex with nanobody B12 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoB12, Outer membrane protein assembly factor BamA | | Authors: | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | | Deposit date: | 2019-01-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
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6QGW
 | | Crystal structure of E.coli BamA beta-barrel in complex with nanobody E6 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoE6, Outer membrane protein assembly factor BamA | | Authors: | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | | Deposit date: | 2019-01-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.938 Å) | | Cite: | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
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5T45
 | | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP.BeFx form | | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Sirigu, S, Planelles-Herrero, V.J, Hartman, J, Houdusse, A. | | Deposit date: | 2016-08-29 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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9F6C
 | | Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the inhibitor aficamten | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | | Authors: | Robert-Paganin, J, Hartman, J.J, Morgan, B.P, Malik, F.I, Houdusse, A. | | Deposit date: | 2024-05-01 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Aficamten is a small-molecule cardiac myosin inhibitor designed to treat hypertrophic cardiomyopathy.
Nat Cardiovasc Res, 3, 2024
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5M05
 | | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form | | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sirigu, S, Hartman, J, Houdusse, A. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3LRE
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3DXK
 | | Structure of Bos Taurus Arp2/3 Complex with Bound Inhibitor CK0944636 | | Descriptor: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | | Authors: | Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D. | | Deposit date: | 2008-07-24 | | Release date: | 2009-07-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Characterization of two classes of small molecule inhibitors of Arp2/3 complex
Nature, 460, 2009
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3DXM
 | | Structure of Bos taurus Arp2/3 Complex with Bound Inhibitor CK0993548 | | Descriptor: | (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... | | Authors: | Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D. | | Deposit date: | 2008-07-24 | | Release date: | 2009-07-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Characterization of two classes of small molecule inhibitors of Arp2/3 complex
Nature, 460, 2009
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7KAA
 | | NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex | | Descriptor: | 6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol, CALCIUM ION, Troponin C, ... | | Authors: | Mercier, P, Li, M.X, Hartman, J.J, Sykes, B.D. | | Deposit date: | 2020-09-30 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle.
J.Med.Chem., 64, 2021
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5N69
 | | Cardiac muscle myosin S1 fragment in the pre-powerstroke state co-crystallized with the activator Omecamtiv Mecarbil | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Planelles-Herrero, V.J, Hartman, J.J, Robert-Paganin, J, Malik, F.I, Houdusse, A. | | Deposit date: | 2017-02-14 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil.
Nat Commun, 8, 2017
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5N6A
 | | Cardiac muscle myosin motor domain in the pre-powerstroke state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Planelles-Herrero, V.J, Hartman, J.J, Robert-Paganin, J, Malik, F.I, Houdusse, A. | | Deposit date: | 2017-02-14 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil.
Nat Commun, 8, 2017
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7SWI
 | | cTnC-TnI chimera complexed with A2 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-19 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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7SUP
 | | NMR structure of cTnC-TnI chimera bound to calcium and A1 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-17 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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7SVC
 | | NMR structure of cTnC-TnI chimera bound to calcium and A2 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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7SXD
 | | NMR solution structure TnC-TnI chimera | | Descriptor: | Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle chimera | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-22 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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7SWG
 | | cTnC-TnI chimera complexed with A1 | | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-19 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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7SXC
 | | cTnC-TnI chimera complexed with calcium | | Descriptor: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | | Deposit date: | 2021-11-22 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
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4TW8
 | | The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL | | Descriptor: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4TW6
 | | The Fk1 domain of FKBP51 in complex with iFit1 | | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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6FSU
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