6NPN
 
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | | Descriptor: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
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5LIA
 | | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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4UO4
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3 HAEMAGGLUTININ HA1 CHAIN, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4UO8
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 6SO4-3SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8FWZ
 | | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Hydroxypropyl-Lin-ImmH Phosphonate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid | | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
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8FZU
 | | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, Expressed with SUMO tag | | Descriptor: | POTASSIUM ION, SULFATE ION, Transcription factor ETV6,Anthrax toxin receptor 2 | | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Lebedev, A, Moody, J.D. | | Deposit date: | 2023-01-30 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
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5M15
 | | Synthetic nanobody in complex with MBP | | Descriptor: | Maltose-binding periplasmic protein, Synthetic nanobody L2_D09, (a-MBP#3) | | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins.
Elife, 7, 2018
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4UO5
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 3SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5MP6
 | | Structure of the Unliganded Fab from HIV-1 Neutralizing Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface, at two Angstrom resolution. | | Descriptor: | CAP248-2B Heavy Chain, CAP248-2B Light Chain, SULFATE ION | | Authors: | Wibmer, C.K, Gorman, J, Kwong, P.D. | | Deposit date: | 2016-12-15 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.959 Å) | | Cite: | Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape.
PLoS Pathog., 13, 2017
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6O5U
 | | AAC-VIa bound to Kanamycin A | | Descriptor: | Aminoglycoside N(3)-acetyltransferase, KANAMYCIN A, MAGNESIUM ION | | Authors: | Kumar, P, Cuneo, M.J. | | Deposit date: | 2019-03-04 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6X5V
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6X5W
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6X6Q
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6X6M
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6G0Q
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated GATA1 peptide (K312ac/K315ac) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Erythroid transcription factor | | Authors: | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2018-03-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6XEU
 | | CryoEM structure of GIRK2PIP2* - G protein-gated inwardly rectifying potassium channel GIRK2 with PIP2 | | Descriptor: | G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION, ... | | Authors: | Mathiharan, Y.K, Glaaser, I.W, Skiniotis, G, Slesinger, P.A. | | Deposit date: | 2020-06-13 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into GIRK2 channel modulation by cholesterol and PIP2
Cell Rep, 36, 2021
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3DOL
 | | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634. | | Descriptor: | N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Chamberlain, P.P, Ren, J, Stammers, D.K. | | Deposit date: | 2008-07-04 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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7SYN
 | | Structure of the HCV IRES bound to the 40S ribosomal subunit, head opening. Structure 8(delta dII) | | Descriptor: | 18S rRNA, 40S ribosomal protein S2, HCV IRES, ... | | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2021-11-25 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Molecular architecture of 40S initiation complexes on the Hepatitis C virus IRES: from ribosomal attachment to eIF5B-mediated reorientation of initiator tRNA
To Be Published
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6XEV
 | | CryoEM structure of GIRK2-PIP2/CHS - G protein-gated inwardly rectifying potassium channel GIRK2 with modulators cholesteryl hemisuccinate and PIP2 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, ... | | Authors: | Mathiharan, Y.K, Glaaser, I.W, Skiniotis, G, Slesinger, P.A. | | Deposit date: | 2020-06-14 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into GIRK2 channel modulation by cholesterol and PIP2
Cell Rep, 36, 2021
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5LT7
 | | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | | Authors: | Tisi, D, Pathuri, P, Heightman, T. | | Deposit date: | 2016-09-06 | | Release date: | 2016-10-05 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
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8FJ2
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17 | | Descriptor: | C-C motif chemokine 17, Evasin P1243 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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6ZM8
 | | Structure of muramidase from Acremonium alcalophilum | | Descriptor: | muramidase | | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | | Deposit date: | 2020-07-01 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution.
Plos One, 16, 2021
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7SYW
 | | Structure of the wt IRES eIF5B-containing 48S initiation complex, closed conformation. Structure 15(wt) | | Descriptor: | 18S rRNA, 40S ribosomal protein S2, 40S ribosomal protein S21, ... | | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2021-11-25 | | Release date: | 2022-07-13 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
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7SYG
 | | Structure of the HCV IRES binding to the 40S ribosomal subunit, closed conformation. Structure 1(delta dII) | | Descriptor: | 18S rRNA, 40S ribosomal protein S2, 40S ribosomal protein S24, ... | | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2021-11-25 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Molecular architecture of 40S initiation complexes on the Hepatitis C virus IRES: from ribosomal attachment to eIF5B-mediated reorientation of initiator tRNA
To Be Published
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6ZMV
 | | Structure of muramidase from Trichobolus zukalii | | Descriptor: | GLYCEROL, SULFATE ION, muramidase | | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | | Deposit date: | 2020-07-04 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution.
Plos One, 16, 2021
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