8A12
 
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2022-05-31 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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1F7K
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-27 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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7PTL
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1F7N
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-27 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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1F7O
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | | Descriptor: | POL POLYPROTEIN | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-27 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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6VGK
 | | ClpP1P2 complex from M. tuberculosis | | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | | Deposit date: | 2020-01-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1F7Q
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | | Descriptor: | DEOXYURIDINE-5'-TRIPHOSPHATE, POL POLYPROTEIN | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-27 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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7PTK
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1F7P
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | | Descriptor: | POL POLYPROTEIN, URIDINE-5'-DIPHOSPHATE | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-27 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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6MHH
 | | Proteus mirabilis ScsC linker (residues 39-49) deletion and N6K mutant | | Descriptor: | Metal resistance protein | | Authors: | Furlong, E.J, Martin, J.L. | | Deposit date: | 2018-09-17 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.083 Å) | | Cite: | Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
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8DCY
 | | CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab | | Descriptor: | 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
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6YHM
 | | Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis | | Descriptor: | Cytotoxic necrotizing factor, MAGNESIUM ION | | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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6MKS
 | | Cryo-EM structure of NLRC4-CARD filament | | Descriptor: | Chimera protein of NLR family CARD domain-containing protein 4 and EGFP | | Authors: | Zheng, W, Matyszewski, M, Sohn, J, Egelman, E.H. | | Deposit date: | 2018-09-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the NLRC4CARDfilament provides insights into how symmetric and asymmetric supramolecular structures drive inflammasome assembly.
J. Biol. Chem., 293, 2018
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G67
 | | Wildtype PTP1b in complex with DES4884 | | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G6A
 | | Wildtype PTP1b in complex with DES6016 | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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5AQQ
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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8DDK
 | | CCHFV GP38 Hoti/Kosovo bound with CC5_17 | | Descriptor: | Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ... | | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | | Deposit date: | 2022-06-18 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.86 Å) | | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
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6MJ1
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8G68
 | | Wildtype PTP1b in complex with DES5742 | | Descriptor: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | Descriptor: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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1FGB
 | | TOXIN | | Descriptor: | CHOLERA TOXIN B SUBUNIT PENTAMER | | Authors: | Zhang, R.-G, Westbrook, E. | | Deposit date: | 1996-02-21 | | Release date: | 1996-12-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The 2.4 A crystal structure of cholera toxin B subunit pentamer: choleragenoid.
J.Mol.Biol., 251, 1995
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7PX5
 | | ATAD2 in complex with 1-Methyl-2-quinolone | | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | | Authors: | Martin, M.P, Noble, M.E.N. | | Deposit date: | 2021-10-07 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Exiting the tunnel of uncertainty: crystal soak to validated hit.
Acta Crystallogr D Struct Biol, 78, 2022
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8B0H
 | | 2C9, C5b9-CD59 cryoEM structure | | Descriptor: | CD59 glycoprotein, Complement C5, Complement component C6, ... | | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
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5J4O
 | | Structure of human erythrocytic Spectrin alpha chain repeats 16-17 | | Descriptor: | 1,2-ETHANEDIOL, Spectrin alpha chain, erythrocytic 1, ... | | Authors: | Cutts, E.E, Vakonakis, I. | | Deposit date: | 2016-04-01 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Interactions of Plasmodium falciparum KAHRP and PfEMP1 with the host cytoskeleton suggest a model for cytoadherent protrusions on the infected erythrocyte surface
To Be Published
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