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6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6QJH
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BU of 6qjh by Molmil
Cryo-EM structure of heparin-induced 2N4R tau snake filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
7LNA
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BU of 7lna by Molmil
Infectious mammalian prion fibril (263K scrapie)
Descriptor: Major prion protein
Authors:Kraus, A, Hoyt, F, Schwartz, C.L, Hansen, B, Hughson, A.G, Artikis, E, Race, B, Caughey, B.
Deposit date:2021-02-06
Release date:2021-09-01
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution structure and strain comparison of infectious mammalian prions.
Mol.Cell, 81, 2021
6QJM
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BU of 6qjm by Molmil
Cryo-EM structure of heparin-induced 2N4R tau twister filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJQ
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BU of 6qjq by Molmil
Cryo-EM structure of heparin-induced 2N3R tau filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
2ALP
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BU of 2alp by Molmil
REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE
Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION
Authors:Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G.
Deposit date:1985-03-07
Release date:1985-07-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
7K4C
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BU of 7k4c by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a
Descriptor: 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
Deposit date:2020-09-15
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
6O5V
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BU of 6o5v by Molmil
Binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
7JZI
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BU of 7jzi by Molmil
Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN (PF3D7_1040300) V2 domain
Descriptor: LAIR1 ectodomain from antibody MGD21, PLATINUM (II) ION, Rifin
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-09-02
Release date:2021-05-26
Last modified:2021-09-22
Method:X-RAY DIFFRACTION (2.707 Å)
Cite:Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZ4
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BU of 7jz4 by Molmil
Crystal structure of broadly Plasmodium RIFIN reactive LAIR1-inserted antibody MGD21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MGD21 heavy chain, MGD21 light chain, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-09-01
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZK
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BU of 7jzk by Molmil
Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN (PF3D7_0401300) V2 domain
Descriptor: LAIR1 ecotodomain from MGD21 antibody, Rifin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-09-02
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.457 Å)
Cite:Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7JZ1
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BU of 7jz1 by Molmil
Crystal structure of broadly Plasmodium RIFIN reactive LAIR1-inserted antibody MGC34
Descriptor: MGC34 heavy chain, MGC34 light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-09-01
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O3Z
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BU of 6o3z by Molmil
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
Descriptor: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
Authors:Min, X, Wang, Z.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
7L28
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BU of 7l28 by Molmil
Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin
Descriptor: (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one, ACETATE ION, MAGNESIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7L27
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BU of 7l27 by Molmil
Crystal structure of the catalytic domain of human PDE3A
Descriptor: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7L29
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BU of 7l29 by Molmil
Crystal structure of the catalytic domain of human PDE3A bound to AMP
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
2OLG
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BU of 2olg by Molmil
Crystal structure of the serine protease domain of prophenoloxidase activating factor-I in a zymogen form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pro-phenoloxidase activating enzyme-I, ...
Authors:Ha, N.C, Piao, S.
Deposit date:2007-01-19
Release date:2007-02-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the serine protease domain of prophenoloxidase activating factor-I
J.Biol.Chem., 282, 2007
7ZLG
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BU of 7zlg by Molmil
Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody
Descriptor: Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ...
Authors:Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P.
Deposit date:2022-04-15
Release date:2023-01-11
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
7ZLH
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BU of 7zlh by Molmil
Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody
Descriptor: Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ...
Authors:Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P.
Deposit date:2022-04-15
Release date:2023-01-11
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
8JZM
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BU of 8jzm by Molmil
The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B.
Deposit date:2023-07-05
Release date:2024-05-01
Method:SOLUTION NMR
Cite:o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
8BM6
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BU of 8bm6 by Molmil
Hairpin adopted by oligonucleotide A36 found in the promoter of AUTS2 gene
Descriptor: A36
Authors:Novotny, A.
Deposit date:2022-11-10
Release date:2023-02-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
8BM7
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BU of 8bm7 by Molmil
Hairpin adopted by oligonucleotide A38 found in the promoter of AUTS2 gene.
Descriptor: A38
Authors:Novotny, A.
Deposit date:2022-11-10
Release date:2023-02-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
8BM4
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BU of 8bm4 by Molmil
Hairpin adopted by modified oligonucleotide A32_mod found in the promoter of AUTS2 gene.
Descriptor: A32_mod
Authors:Novotny, A.
Deposit date:2022-11-10
Release date:2023-02-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
8OWD
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BU of 8owd by Molmil
Lipidic amyloid-beta(1-40) fibril - polymorph L3
Descriptor: Amyloid-beta A4 protein
Authors:Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F.
Deposit date:2023-04-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40).
Nat Commun, 15, 2024

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數據於2024-07-17公開中

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