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PDB: 107 results

3CJ1
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BU of 3cj1 by Molmil
Structure of Rattus norvegicus NTPDase2
Descriptor: Ectonucleoside triphosphate diphosphohydrolase 2
Authors:Zebisch, M, Strater, N.
Deposit date:2008-03-12
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJA
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BU of 3cja by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with calcium and AMPPNP
Descriptor: CALCIUM ION, Ectonucleoside triphosphate diphosphohydrolase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Zebisch, M, Strater, N.
Deposit date:2008-03-12
Release date:2008-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJ7
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BU of 3cj7 by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Ectonucleoside triphosphate diphosphohydrolase 2
Authors:Zebisch, M, Strater, N.
Deposit date:2008-03-12
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
6HDW
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BU of 6hdw by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP
Descriptor: 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
Authors:Zahn, M, Rohwerder, T, Strater, N.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
4OKF
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BU of 4okf by Molmil
RNase S in complex with an artificial peptide
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Genz, M, Strater, N.
Deposit date:2014-01-22
Release date:2015-03-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:X-ray structure of a RNase S variant in complex with an artificial peptide
To be Published
6F30
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BU of 6f30 by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with UDPGlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6F2V
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BU of 6f2v by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6F2T
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Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6F33
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BU of 6f33 by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMPNPP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6F2Y
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BU of 6f2y by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
6Y4S
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BU of 6y4s by Molmil
Human kallikrein-related peptidase 7 (KLK7) in the unliganded state
Descriptor: Kallikrein-7, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Hanke, S, Strater, N.
Deposit date:2020-02-23
Release date:2020-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
6G4G
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BU of 6g4g by Molmil
Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2018-03-27
Release date:2018-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4KBP
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BU of 4kbp by Molmil
KIDNEY BEAN PURPLE ACID PHOSPHATASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PHOSPHATE ION, ...
Authors:Klabunde, T, Strater, N, Krebs, B.
Deposit date:1995-10-02
Release date:1996-12-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Fe(III)-Zn(II) purple acid phosphatase based on crystal structures.
J.Mol.Biol., 259, 1996
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
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
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-28
Release date:2021-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
Descriptor: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PB5
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BU of 7pb5 by Molmil
Crystal structure of CD73 in complex with UMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-30
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
Descriptor: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-04
Release date:2021-10-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
Descriptor: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021

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