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4RLP
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BU of 4rlp by Molmil
Human p70s6k1 with ruthenium-based inhibitor FL772
Descriptor: CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
6YQQ
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BU of 6yqq by Molmil
ForT-PRPP complex
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ForT-PRPP complex, ...
Authors:Naismith, J.H, Gao, S.
Deposit date:2020-04-18
Release date:2020-05-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Uncovering the chemistry of C-C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex.
Chem.Commun.(Camb.), 56, 2020
6PXS
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BU of 6pxs by Molmil
Crystal structure of iminodiacetate oxidase (IdaA) from Chelativorans sp. BNC1
Descriptor: FAD dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Jun, S.Y, Lewis, K.M, Xun, L, Kang, C.
Deposit date:2019-07-26
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.836 Å)
Cite:Structural and biochemical characterization of iminodiacetate oxidase from Chelativorans sp. BNC1.
Mol.Microbiol., 112, 2019
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
Descriptor: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
Authors:Liu, S.M, Wang, J.
Deposit date:2023-02-17
Release date:2023-07-12
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (7.09 Å)
Cite:Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
8CYA
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BU of 8cya by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CXQ
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BU of 8cxq by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-22
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 1-22
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-22
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY6
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BU of 8cy6 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-65
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 2-65
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYC
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BU of 8cyc by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 2-34
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYJ
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BU of 8cyj by Molmil
RBD of SARS-CoV-2 Spike protein in complex with pan-sarbecovirus nanobodies 2-10, 2-67, 2-62 and 1-25
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 1-25, pan-sarbecovirus nanobody 2-10, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYB
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BU of 8cyb by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-8
Descriptor: 1-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYD
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BU of 8cyd by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-45
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 2-45
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY9
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BU of 8cy9 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-23
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 1-23
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CXN
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BU of 8cxn by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-57
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pan-sarbecovirus nanobody 2-57
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-22
Release date:2022-07-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY7
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BU of 8cy7 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
4N6E
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BU of 4n6e by Molmil
Crystal structure of Amycolatopsis orientalis BexX/CysO complex
Descriptor: Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2022-05-26
Release date:2023-03-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
Descriptor: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
8JU9
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BU of 8ju9 by Molmil
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-KETO-DEOXY-GALACTOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Rui, B, Yibo, Z.
Deposit date:2023-06-25
Release date:2024-01-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence.
Nucleic Acids Res., 52, 2024
5JRE
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BU of 5jre by Molmil
Crystal structure of NeC3PO in complex with ssDNA.
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ...
Authors:Gan, J, Zhang, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5JRC
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BU of 5jrc by Molmil
Crystal structure of NeC3PO in complex with ssRNA.
Descriptor: CALCIUM ION, NEQ131, ssRNA
Authors:Zhang, J, Gan, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5JR9
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BU of 5jr9 by Molmil
Crystal structure of apo-NeC3PO
Descriptor: NEQ131
Authors:Zhang, J, Gan, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5JQG
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BU of 5jqg by Molmil
An apo tubulin-RB-TTL complex structure used for side-by-side comparison
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.X, Naismith, J.H, Zhu, X.
Deposit date:2016-05-04
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule
Nat Commun, 7, 2016
7KSG
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BU of 7ksg by Molmil
SARS-CoV-2 spike in complex with nanobodies E
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 glycoprotein, Spike glycoprotein
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-22
Release date:2021-01-20
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021

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