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8DTA
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BU of 8dta by Molmil
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Rosenbaum, J.C, Carlson, A.E.
Deposit date:2022-07-25
Release date:2023-07-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Glutathione modulates metal binding to proteins.
TBD
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
Descriptor: AZIDE ION, All4481 protein
Authors:Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
Deposit date:2022-09-12
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH219
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8EGY
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BU of 8egy by Molmil
Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH108
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F43
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BU of 8f43 by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2022-11-10
Release date:2022-12-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH113
Authors:Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
6Y6K
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BU of 6y6k by Molmil
Cryo-EM structure of a Phenuiviridae L protein
Descriptor: MAGNESIUM ION, RNA-dependent RNA polymerase
Authors:Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M.
Deposit date:2020-02-26
Release date:2020-04-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
5T8H
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BU of 5t8h by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0
Descriptor: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Kovalevsky, A.Y, Gerlits, O.O.
Deposit date:2016-09-07
Release date:2017-03-01
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.
J. Med. Chem., 60, 2017
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
Descriptor: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
Descriptor: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
Descriptor: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7Q7M
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BU of 7q7m by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7H
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BU of 7q7h by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
Descriptor: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKA
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BU of 7qka by Molmil
Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Leys, D, Levy, C.
Deposit date:2022-02-07
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7SD2
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BU of 7sd2 by Molmil
Murine Fab that recognizes Hev b 8 (profilin for Hevea brasiliensis)
Descriptor: Heavy Chain Antibody IgE/Fab anti-profilin Hev b 8, Light Chain Antibody IgE/Fab anti-profilin Hev b 8
Authors:Rodriguez-Romero, A, Garcia-Ramirez, B.
Deposit date:2021-09-29
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
7T6A
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BU of 7t6a by Molmil
Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ...
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
7T69
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BU of 7t69 by Molmil
Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr3 (SIX1), Secreted in xylem 1, SULFATE ION
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
8OOT
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BU of 8oot by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 Ies6 refinement state2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling complex subunit IES6, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OO7
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BU of 8oo7 by Molmil
CryoEM Structure INO80core Hexasome complex composite model state1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-04
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOK
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BU of 8ook by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 grappler refinement state1
Descriptor: Actin-related protein 5
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (5.69 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOP
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BU of 8oop by Molmil
CryoEM Structure INO80core Hexasome complex composite model state2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OO9
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BU of 8oo9 by Molmil
CryoEM Structure INO80core Hexasome complex ATPase-DNA refinement state1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromatin-remodeling ATPase INO80, DNA strand 1, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-04
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023

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数据于2024-05-29公开中

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