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2WDE
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BU of 2wde by Molmil
Termus thermophilus Sulfate thiohydrolase SoxB in complex with thiosulfate
Descriptor: MANGANESE (II) ION, SULFUR OXIDATION PROTEIN SOXB, TERTIARY-BUTYL ALCOHOL, ...
Authors:Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
Deposit date:2009-03-24
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
1HPU
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BU of 1hpu by Molmil
5'-NUCLEOTIDASE (CLOSED FORM), COMPLEX WITH AMPCP
Descriptor: 5'-NUCLEOTIDASE, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-13
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
4H2F
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BU of 4h2f by Molmil
Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine
Descriptor: 5'-nucleotidase, ADENOSINE, CALCIUM ION, ...
Authors:Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J.
Deposit date:2012-09-12
Release date:2012-11-28
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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
3IVD
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BU of 3ivd by Molmil
Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Uridine
Descriptor: CHLORIDE ION, FE (III) ION, MANGANESE (II) ION, ...
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-31
Release date:2009-09-29
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Uridine
To be Published
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
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
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
4Q7F
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BU of 4q7f by Molmil
1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ...
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-04-24
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
TO BE PUBLISHED
6TWA
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BU of 6twa by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Pippel, J, Strater, N.
Deposit date:2020-01-12
Release date:2020-02-19
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
4H2I
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BU of 4h2i by Molmil
Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP
Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J.
Deposit date:2012-09-12
Release date:2012-11-28
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
3ZU0
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BU of 3zu0 by Molmil
Structure of Haemophilus influenzae NAD nucleotidase (NadN)
Descriptor: NAD NUCLEOTIDASE, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M.
Deposit date:2011-07-13
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Biochem.J., 441, 2012
3QFK
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BU of 3qfk by Molmil
2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Wawrzak, Z, Krishna, S.N, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-21
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate.
TO BE PUBLISHED
6S7F
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BU of 6s7f by Molmil
Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
Descriptor: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
Authors:Pippel, J, Strater, N.
Deposit date:2019-07-04
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019
2WDF
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BU of 2wdf by Molmil
Termus thermophilus Sulfate thiohydrolase SoxB
Descriptor: MANGANESE (II) ION, SULFUR OXIDATION PROTEIN SOXB, TERTIARY-BUTYL ALCOHOL
Authors:Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
Deposit date:2009-03-24
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 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 (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
1OID
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BU of 1oid by Molmil
5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (S228C, P513C)
Descriptor: NICKEL (II) ION, PROTEIN USHA
Authors:Schultz-Heienbrok, R, Maier, T, Straeter, N.
Deposit date:2003-06-13
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trapping a 96 Degree Domain Rotation in Two Distinct Conformations by Engineered Disulfide Bridges
Protein Sci., 13, 2004
1OI8
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BU of 1oi8 by Molmil
5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (P90C, L424C)
Descriptor: CARBONATE ION, MANGANESE (II) ION, PROTEIN USHA, ...
Authors:Schultz-Heienbrok, R, Maier, T, Straeter, N.
Deposit date:2003-06-10
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trapping a 96 Degree Domain Rotation in Two Distinct Conformations by Engineered Disulfide Bridges
Protein Sci., 13, 2004
1HO5
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BU of 1ho5 by Molmil
5'-NUCLEOTIDASE (E. COLI) IN COMPLEX WITH ADENOSINE AND PHOSPHATE
Descriptor: 5'-NUCLEOTIDASE, ADENOSINE, MANGANESE (II) ION, ...
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-08
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
7D0V
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BU of 7d0v by Molmil
Crystal structure of Taiwan cobra 5'-nucleotidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ...
Authors:Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G.
Deposit date:2020-09-12
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Crystal structure of Taiwan cobra 5'-nucleotidase
To Be Published
4H1S
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BU of 4h1s by Molmil
Crystal Structure of a Truncated Soluble form of Human CD73 with Ecto-5'-Nucleotidase activity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, PHOSPHATE ION, ...
Authors:Heuts, D.P, Weissenborn, M.J, Olkhov, R.V, Shaw, A.M, Levy, C.W, Scrutton, N.S.
Deposit date:2012-09-11
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a soluble form of human CD73 with ecto-5'-nucleotidase activity.
Chembiochem, 13, 2012
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Authors:Strater, N.
Deposit date:2021-12-09
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
2USH
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BU of 2ush by Molmil
5'-NUCLEOTIDASE FROM E. COLI
Descriptor: 5'-NUCLEOTIDASE, TUNGSTATE(VI)ION, ZINC ION
Authors:Knofel, T, Strater, N.
Deposit date:1998-09-24
Release date:1999-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:X-ray structure of the Escherichia coli periplasmic 5'-nucleotidase containing a dimetal catalytic site.
Nat.Struct.Biol., 6, 1999
4WWL
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BU of 4wwl by Molmil
E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form)
Descriptor: CARBONATE ION, GLYCEROL, Protein UshA, ...
Authors:Krug, U, Paithankar, K.S, Schultz-Heienbrok, R, Strater, N.
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form)
To Be Published

219515

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