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6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
Descriptor: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
Descriptor: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA4
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BU of 6va4 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP
Descriptor: N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
1B4P
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BU of 1b4p by Molmil
CRYSTAL STRUCTURES OF CLASS MU CHIMERIC GST ISOENZYMES M1-2 AND M2-1
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, PROTEIN (GLUTATHIONE S-TRANSFERASE), SULFATE ION
Authors:Xiao, G, Chen, J, Armstrong, R.N, Gilliland, G.L.
Deposit date:1998-12-26
Release date:2003-07-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Class MU Chimeric GST Isoenzymes M1-2 and M2-1
To be Published
6SB1
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BU of 6sb1 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 1
Descriptor: CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein
Authors:Ni, T, Ginger, L, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6SB3
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BU of 6sb3 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pre-pore form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6SB4
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BU of 6sb4 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 2
Descriptor: Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Ginger, L, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6YJ5
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BU of 6yj5 by Molmil
Focused refinement cryo-EM structure of the yeast mitochondrial complex I sub-stoichiometric sulfur transferase subunit
Descriptor: Rhodanese-like domain-containing protein
Authors:Hirst, J, Grba, D.
Deposit date:2020-04-02
Release date:2020-08-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SB5
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BU of 6sb5 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pore form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
8JT6
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BU of 8jt6 by Molmil
5-HT1A-Gi in complex with compound (R)-IHCH-7179
Descriptor: 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S.
Deposit date:2023-06-21
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
5F21
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BU of 5f21 by Molmil
human CD38 in complex with nanobody MU375
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, GLYCEROL, SULFATE ION, ...
Authors:Hao, Q, Zhang, H.
Deposit date:2015-12-01
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1K
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BU of 5f1k by Molmil
human CD38 in complex with nanobody MU1053
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053
Authors:Zhang, H, Hao, Q.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1O
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BU of 5f1o by Molmil
human CD38 in complex with nanobody MU551
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551
Authors:Zhang, H, Hao, Q.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
7MJU
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BU of 7mju by Molmil
Crystal structure of human AF10 PZP bound to histone H3 tail
Descriptor: Histone H3.1,Protein AF-10, ZINC ION
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2021-04-20
Release date:2021-08-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations.
Nat Commun, 12, 2021
8JT8
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BU of 8jt8 by Molmil
Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
Authors:Chen, Z, Fan, L, Wang, S.
Deposit date:2023-06-21
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
6NNF
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BU of 6nnf by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to VRC01 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.5 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2019-01-14
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.762 Å)
Cite:Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
6NM6
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BU of 6nm6 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to N6 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.2 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2019-01-10
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.739 Å)
Cite:Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
5U1F
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BU of 5u1f by Molmil
Initial contact of HIV-1 Env with CD4: Cryo-EM structure of BG505 DS-SOSIP trimer in complex with CD4 and antibody PGT145
Descriptor: BG505 DS-SOSIP gp120, BG505 SOSIP gp41, PGT145 heavy chain, ...
Authors:Acharya, P, Kwong, P.D, Potter, C.S, Carragher, B.
Deposit date:2016-11-28
Release date:2017-02-22
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Quaternary contact in the initial interaction of CD4 with the HIV-1 envelope trimer.
Nat. Struct. Mol. Biol., 24, 2017
6NNJ
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BU of 6nnj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to CH31 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
6OLU
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BU of 6olu by Molmil
RIAM RA-PH core structure in the P212121 space group
Descriptor: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
Authors:Wu, J.
Deposit date:2019-04-17
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM.
Structure, 29, 2021
6O6H
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BU of 6o6h by Molmil
RIAM cc-RA-PH structure in the P21212 space group
Descriptor: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
Authors:Wu, J.
Deposit date:2019-03-06
Release date:2020-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM.
Structure, 2020
7FJQ
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BU of 7fjq by Molmil
Cryo EM structure of lysosomal ATPase
Descriptor: Polyamine-transporting ATPase 13A2, SPERMINE
Authors:Zhang, S.S.
Deposit date:2021-08-04
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2.
Cell Discov, 7, 2021
7FJP
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BU of 7fjp by Molmil
Cryo EM structure of lysosomal ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Zhang, S.S.
Deposit date:2021-08-04
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2.
Cell Discov, 7, 2021
7AX3
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BU of 7ax3 by Molmil
CryoEM structure of the super-constricted two-start dynamin 1 filament
Descriptor: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Liu, J.W, Zhang, P.J.
Deposit date:2020-11-09
Release date:2021-11-10
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:CryoEM structure of the super-constricted two-start dynamin 1 filament.
Nat Commun, 12, 2021
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
Descriptor: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
Deposit date:2018-06-15
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019

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