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5F3W
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BU of 5f3w by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
Descriptor: 27-MER DNA, DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
Authors:Liu, Y.
Deposit date:2015-12-03
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex
Embo J., 35, 2016
5FC5
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BU of 5fc5 by Molmil
Murine SMPDL3A in complex with phosphocholine
Descriptor: 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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-14
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
5FCA
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BU of 5fca by Molmil
Murine SMPDL3A in presence of excess zinc
Descriptor: 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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
5FI9
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BU of 5fi9 by Molmil
Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA
Descriptor: (1-azanyl-1-phosphono-decyl)phosphonic acid, 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:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5FIB
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BU of 5fib by Molmil
Open form of murine Acid Sphingomyelinase
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:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5FC1
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BU of 5fc1 by Molmil
Murine SMPDL3A in complex with sulfate
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:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-14
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6ZEJ
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BU of 6zej by Molmil
Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)]
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
5FC7
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BU of 5fc7 by Molmil
Murine SMPDL3A in complex with sulfate (tetragonal)
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:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
5FIC
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BU of 5fic by Molmil
Open form of murine Acid Sphingomyelinase in presence of lipid
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:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5H7W
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BU of 5h7w by Molmil
Crystal structure of 5'-nucleotidase from venom of Naja atra
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ZINC ION, ...
Authors:Chang, C, Lin, C.-C, Wu, W.-G.
Deposit date:2016-11-21
Release date:2017-11-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal strucuture of Taiwan cobra (Naja atra) venom 5'-nucleotidase at 1.9 Angstroms resolution.
To Be Published
6ZEH
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BU of 6zeh by Molmil
Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580)
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Phosphatase and actin regulator, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6Z9D
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BU of 6z9d by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-06-03
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6ZEE
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BU of 6zee by Molmil
Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, GLYCEROL, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
5FC6
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BU of 5fc6 by Molmil
Murine SMPDL3A in complex with ADP analog AMPCP
Descriptor: 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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
1S95
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BU of 1s95 by Molmil
Structure of serine/threonine protein phosphatase 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Swingle, M.R, Honkanen, R.E, Ciszak, E.M.
Deposit date:2004-02-03
Release date:2004-08-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the catalytic activity of human serine/threonine protein phosphatase-5.
J.Biol.Chem., 279, 2004
1S70
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BU of 1s70 by Molmil
Complex between protein ser/thr phosphatase-1 (delta) and the myosin phosphatase targeting subunit 1 (MYPT1)
Descriptor: 130 kDa myosin-binding subunit of smooth muscle myosin phophatase (M130), MANGANESE (II) ION, Serine/threonine protein phosphatase PP1-beta (or delta) catalytic subunit, ...
Authors:Kerff, F, Terrak, M, Dominguez, R.
Deposit date:2004-01-28
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of protein phosphatase 1 regulation
Nature, 429, 2004
5FCB
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BU of 5fcb by Molmil
Murine SMPDL3A in complex with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6ZEF
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BU of 6zef by Molmil
Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEG
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BU of 6zeg by Molmil
Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZK6
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BU of 6zk6 by Molmil
Protein Phosphatase 1 (PP1) T320E mutant
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Salvi, F, Barabas, O, Koehn, M.
Deposit date:2020-06-29
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
6ZEI
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BU of 6zei by Molmil
Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
1TCO
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BU of 1tco by Molmil
TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS)
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ...
Authors:Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A.
Deposit date:1996-08-21
Release date:1997-02-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex.
Cell(Cambridge,Mass.), 82, 1995
6YE1
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BU of 6ye1 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021

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数据于2024-10-09公开中

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