4BRI
 
 | | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG UMPPNP | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CHLORIDE ION, ... | | 著者 | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | | 登録日 | 2013-06-04 | | 公開日 | 2013-07-17 | | 最終更新日 | 2013-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
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4BVO
 | | Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1 | | 分子名称: | 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ... | | 著者 | Zebisch, M, Schaefer, P, Straeter, N. | | 登録日 | 2013-06-27 | | 公開日 | 2014-02-12 | | 最終更新日 | 2014-04-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
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4CD3
 | | RnNTPDase2 X4 variant in complex with PSB-071 | | 分子名称: | 1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL | | 著者 | Zebisch, M, Schaefer, P, Straeter, N. | | 登録日 | 2013-10-29 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Crystal Structure of Ntpdase2 in Complex with the Sulfoanthraquinone Inhibitor Psb-071.
J.Struct.Biol., 185, 2014
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4CD1
 | | RnNTPDase2 in complex with PSB-071 | | 分子名称: | 1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2 | | 著者 | Zebisch, M, Schaefer, P, Straeter, N. | | 登録日 | 2013-10-29 | | 公開日 | 2014-02-12 | | 最終更新日 | 2014-03-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of Ntpdase2 in Complex with the Sulfoanthraquinone Inhibitor Psb-071.
J.Struct.Biol., 185, 2014
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9CE4
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6 | | 分子名称: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L, Zebisch, M, Henry, C, Barker, J.J. | | 登録日 | 2024-06-26 | | 公開日 | 2024-09-18 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
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8P8C
 | | HUMAN CD38 ECTODOMAIN BOUND TO COMPOUND 9-ADPR ADDUCT | | 分子名称: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | 著者 | Rangel, V, Zebisch, M, Doyle, K.J, Burli, R.W. | | 登録日 | 2023-05-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | A Covalent Binding Mode of a Pyrazole-Based CD38 Inhibitor
Helv.Chim.Acta, 106, 2023
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5BQC
 | | Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 and sucrose octasulfate | | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, ... | | 著者 | Chang, T.-H, Hsieh, F.-L, Zebisch, M, Harlos, K, Jones, E.Y. | | 登録日 | 2015-05-28 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
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7SLS
 | | HIV Reverse Transcriptase with compound Pyr02 | | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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7SLR
 | | HIV Reverse Transcriptase with compound Pyr01 | | 分子名称: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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6F30
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with UDPGlcNAc | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6F2V
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMP | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6F2T
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6F33
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMPNPP | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6F2Y
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
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6G4G
 | | Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure | | 分子名称: | 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, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2018-03-27 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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
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4H2F
 | | Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine | | 分子名称: | 5'-nucleotidase, ADENOSINE, CALCIUM ION, ... | | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | | 登録日 | 2012-09-12 | | 公開日 | 2012-11-28 | | 最終更新日 | 2014-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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4H2G
 | | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine | | 分子名称: | 5'-nucleotidase, ADENOSINE, CALCIUM ION, ... | | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | | 登録日 | 2012-09-12 | | 公開日 | 2012-11-28 | | 最終更新日 | 2012-12-26 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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4H1Y
 | | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552 | | 分子名称: | 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name), 5'-nucleotidase, CALCIUM ION, ... | | 著者 | Pippel, J, Zebisch, M, Knapp, K, Straeter, N. | | 登録日 | 2012-09-11 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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4H2I
 | | Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP | | 分子名称: | 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | | 登録日 | 2012-09-12 | | 公開日 | 2012-11-28 | | 最終更新日 | 2018-06-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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4A59
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4A57
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4A5A
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4A5B
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