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8RP5
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BU of 8rp5 by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
Descriptor: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL
Authors:Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
Deposit date:2024-01-12
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
7T72
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BU of 7t72 by Molmil
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
Authors:Langley, D.B, Christ, D, Rouet, R.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.177 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
2NZ4
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BU of 2nz4 by Molmil
Structural investigation of the GlmS ribozyme bound to its catalytic cofactor
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GlmS ribozyme, MAGNESIUM ION, ...
Authors:Cochrane, J.C.
Deposit date:2006-11-22
Release date:2007-01-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor
Chem.Biol., 14, 2007
7T90
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BU of 7t90 by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state
Descriptor: ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T8X
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BU of 7t8x by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state
Descriptor: ACETYLCHOLINE, Antibody fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T9R
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BU of 7t9r by Molmil
Crystal structure of Crocodile defensin CpoBD13:phosphatidic acid complex
Descriptor: (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE, 1,2-ETHANEDIOL, CpoBD13, ...
Authors:Kvansakul, M, Williams, S, Hulett, M.D.
Deposit date:2021-12-19
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Nat Commun, 14, 2023
7T5O
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BU of 7t5o by Molmil
VFLIP Spike Trimer with GAR03
Descriptor: GAR03 Fab heavy chain, GAR03 Fab light chain, Spike glycoprotein
Authors:Sobti, M, Stewart, A.G, Rouet, R, Langley, D.B.
Deposit date:2021-12-12
Release date:2023-01-25
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
7T9Q
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BU of 7t9q by Molmil
Crystal structure of Crocodile defensin CpoBD13
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, CpoBD13
Authors:Kvansakul, M, Williams, S, Hulett, M.D.
Deposit date:2021-12-19
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Nat Commun, 14, 2023
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T96
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BU of 7t96 by Molmil
Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-18
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T94
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BU of 7t94 by Molmil
Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T8G
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BU of 7t8g by Molmil
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
Descriptor: ACETATE ION, SELENIUM ATOM, SULFATE ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8H
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BU of 7t8h by Molmil
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
2OO4
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BU of 2oo4 by Molmil
Structure of LNR-HD (Negative Regulatory Region) from human Notch 2
Descriptor: CALCIUM ION, GLYCEROL, Neurogenic locus notch homolog protein 2, ...
Authors:Gordon, W.R, Vardar-Ulu, D, Histen, G, Sanchez-Irizarry, C, Aster, J.C, Blacklow, S.C.
Deposit date:2007-01-25
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for autoinhibition of Notch
Nat.Struct.Mol.Biol., 14, 2007
7STF
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BU of 7stf by Molmil
Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Wright, K.M, Gabelli, S.B, Miller, M.
Deposit date:2021-11-12
Release date:2023-05-31
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
7SXJ
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BU of 7sxj by Molmil
BIO-2895 (BRD0705) bound GSK3beta-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXG
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BU of 7sxg by Molmil
BIO-8546 bound GSK3alpha-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXF
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BU of 7sxf by Molmil
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXH
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BU of 7sxh by Molmil
BIO-8546 bound GSK3beta-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
2OT8
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BU of 2ot8 by Molmil
Karyopherin Beta2/Transportin-hnRNPM NLS Complex
Descriptor: Heterogeneous nuclear ribonucleoprotein M, Transportin-1
Authors:Cansizoglu, A.E, Chook, Y.M.
Deposit date:2007-02-07
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-based design of a pathway-specific nuclear import inhibitor.
Nat.Struct.Mol.Biol., 14, 2007
8Q5B
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BU of 8q5b by Molmil
Characterization of the zinc finger u-protein HVO_0758 from Haloferax volcanii: biological roles, zinc binding, and NMR solution structure
Descriptor: Small CPxCG-related zinc finger protein
Authors:Pyper, D.J, Schwalbe, H.
Deposit date:2023-08-08
Release date:2023-12-27
Method:SOLUTION NMR
Cite:Characterization of the zinc finger mu-protein HVO_0758 from Haloferax volcanii : biological roles, zinc binding, and NMR solution structure.
Front Microbiol, 14, 2023
7R7P
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BU of 7r7p by Molmil
Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6)
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
7R7Q
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BU of 7r7q by Molmil
Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6)
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023

225946

数据于2024-10-09公开中

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