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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6I7E
 | | Plasmodium falciparum Myosin A, Pre-powerstroke | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-A, ... | | Authors: | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2018-11-16 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.492 Å) | | Cite: | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
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6I7D
 | | Plasmodium falciparum Myosin A, post-rigor and rigor-like states | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Myosin-A | | Authors: | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2018-11-16 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
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7NA5
 | | Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen | | Descriptor: | 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ... | | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | | Deposit date: | 2021-06-19 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
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5JPT
 | | CRYSTAL STRUCTURE OF THE PRP43P DEAH-BOX RNA HELICASE IN COMPLEX WITH CDP | | Descriptor: | ACETATE ION, CYTIDINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Robert-Paganin, J, Rety, S, Leulliot, N. | | Deposit date: | 2016-05-04 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.935 Å) | | Cite: | Functional link between DEAH/RHA helicase Prp43 activation and ATP base binding.
Nucleic Acids Res., 45, 2017
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7N9J
 | | Crystal structure of H2DB in complex with HSF2 melanoma neoantigen | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI
To be Published
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1FSE
 | | CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS REGULATORY PROTEIN GERE | | Descriptor: | GERE, GLYCEROL, SULFATE ION | | Authors: | Ducros, V.M.-A, Lewis, R.J, Verma, C.S, Dodson, E.J, Leonard, G, Turkenburg, J.P, Murshudov, G.N, Wilkinson, A.J, Brannigan, J.A. | | Deposit date: | 2000-09-08 | | Release date: | 2001-03-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis.
J.Mol.Biol., 306, 2001
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7P39
 | | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, Dextransucrase, ... | | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | | Deposit date: | 2021-07-07 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB.
J.Agric.Food Chem., 69, 2021
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7P38
 | | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 | | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | | Deposit date: | 2021-07-07 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB.
J.Agric.Food Chem., 69, 2021
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7ZJM
 | | Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | | Descriptor: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5LNG
 | | Lectin domain of E. coli F9 pilus adhesin FmlH | | Descriptor: | Putative Fml fimbrial adhesin FmlD, SULFATE ION | | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-05 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection.
Cell Host Microbe, 20, 2016
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1GKF
 | | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | | Deposit date: | 2001-08-13 | | Release date: | 2002-01-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism
J.Mol.Biol., 313, 2001
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8QYQ
 | | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten | | Descriptor: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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8QYU
 | | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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8QYR
 | | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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1H2G
 | | Altered substrate specificity mutant of penicillin acylase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | McVey, C.E, Morillas, M, Brannigan, J.A, Ladurner, A.G, Forney, L.J, Virden, R. | | Deposit date: | 2002-08-08 | | Release date: | 2003-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding
Biochem.J., 371, 2003
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6FSA
 | | Beta-Cardiac myosin post-rigor | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, ... | | Authors: | Robert-Paganin, J, Auguin, D, Houdusse, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Hypertrophic cardiomyopathy disease results from disparate impairments of cardiac myosin function and auto-inhibition.
Nat Commun, 9, 2018
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5LNE
 | | E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen | | Descriptor: | NICKEL (II) ION, Putative Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection.
Cell Host Microbe, 20, 2016
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4ZAU
 | | AZD9291 complex with wild type EGFR | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | | Deposit date: | 2015-04-14 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
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1EYV
 | | THE CRYSTAL STRUCTURE OF NUSB FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | N-UTILIZING SUBSTANCE PROTEIN B HOMOLOG, PHOSPHATE ION | | Authors: | Gopal, B, Haire, L.F, Cox, R.A, Colston, M.J, Major, S, Brannigan, J.A, Smerdon, S.J, Dodson, G.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-05-09 | | Release date: | 2000-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of NusB from Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
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7ZJJ
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | | Descriptor: | CspZ, NITRATE ION | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJK
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | | Descriptor: | CspZ | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8QYP
 | | Beta-cardiac myosin motor domain in the pre-powerstroke state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.759 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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1GK9
 | | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | | Deposit date: | 2001-08-10 | | Release date: | 2002-01-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structures of Penicillin Acylase Enzyme-Substrate Complexes: Structural Insights Into the Catalytic Mechanism
J.Mol.Biol., 313, 2001
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