1V8Y
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![BU of 1v8y by Molmil](/molmil-images/mine/1v8y) | Crystal structure analysis of the ADP-ribose pyrophosphatase of E86Q mutant, complexed with ADP-ribose and Zn | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, ZINC ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-15 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1R67
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![BU of 1r67 by Molmil](/molmil-images/mine/1r67) | Y104A MUTANT OF E.COLI IPP ISOMERASE | Descriptor: | Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION | Authors: | Wouters, J. | Deposit date: | 2003-10-15 | Release date: | 2003-10-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural role for Tyr-104 in Escherichia coli isopentenyl-diphosphate isomerase: site-directed mutagenesis, enzymology, and protein crystallography. J.Biol.Chem., 281, 2006
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1VC8
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1V8N
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![BU of 1v8n by Molmil](/molmil-images/mine/1v8n) | Crystal structure analysis of the ADP-ribose pyrophosphatase complexed with Zn | Descriptor: | ADP-ribose pyrophosphatase, ZINC ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-12 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8V
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![BU of 1v8v by Molmil](/molmil-images/mine/1v8v) | Crystal structure analysis of the ADP-ribose pyrophosphatase of E86Q mutant, complexed with ADP-ribose and Mg | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, MAGNESIUM ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-15 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1TUM
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![BU of 1tum by Molmil](/molmil-images/mine/1tum) | MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX, NMR, 16 STRUCTURES | Descriptor: | COBALT TETRAAMMINE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lin, J, Abeygunawardana, C, Frick, D.N, Bessman, M.J, Mildvan, A.S. | Deposit date: | 1996-12-05 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the quaternary MutT-M2+-AMPCPP-M2+ complex and mechanism of its pyrophosphohydrolase action. Biochemistry, 36, 1997
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1V8T
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![BU of 1v8t by Molmil](/molmil-images/mine/1v8t) | Crystal Structure analysis of the ADP-ribose pyrophosphatase complexed with ribose-5'-phosphate and Zn | Descriptor: | ADP-ribose pyrophosphatase, RIBOSE-5-PHOSPHATE, ZINC ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-14 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8M
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![BU of 1v8m by Molmil](/molmil-images/mine/1v8m) | Crystal structure analysis of ADP-ribose pyrophosphatase complexed with ADP-ribose and Gd | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose pyrophosphatase, GADOLINIUM ATOM | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-12 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8S
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![BU of 1v8s by Molmil](/molmil-images/mine/1v8s) | Crystal structure analusis of the ADP-ribose pyrophosphatase complexed with AMP and Mg | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-ribose pyrophosphatase, MAGNESIUM ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-14 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8U
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![BU of 1v8u by Molmil](/molmil-images/mine/1v8u) | Crystal structure analysis of the ADP-ribose pyrophosphatase of E82Q mutant with SO4 and Mg | Descriptor: | ADP-ribose pyrophosphatase, MAGNESIUM ION, SULFATE ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-15 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8I
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![BU of 1v8i by Molmil](/molmil-images/mine/1v8i) | Crystal Structure Analysis of the ADP-ribose pyrophosphatase | Descriptor: | ADP-ribose pyrophosphatase | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-09 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1V8W
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![BU of 1v8w by Molmil](/molmil-images/mine/1v8w) | Crystal structure analysis of the ADP-ribose pyrophosphatase of E82Q mutant, complexed with SO4 and Zn | Descriptor: | ADP-ribose pyrophosphatase, SULFATE ION, ZINC ION | Authors: | Yoshiba, S, Ooga, T, Nakagawa, N, Shibata, T, Inoue, Y, Yokoyama, S, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-15 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal J.Biol.Chem., 279, 2004
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1VCD
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![BU of 1vcd by Molmil](/molmil-images/mine/1vcd) | Crystal Structure of a T.thermophilus HB8 Ap6A hydrolase Ndx1 | Descriptor: | GLYCEROL, Ndx1, SULFATE ION | Authors: | Iwai, T, Nakagawa, N, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-05 | Release date: | 2005-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Nudix Protein Ndx1 from Thermus thermophilus HB8 in binary complex with diadenosine hexaphosphate To be Published
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1VC9
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![BU of 1vc9 by Molmil](/molmil-images/mine/1vc9) | Crystal Structure of a T.thermophilus HB8 Ap6A hydrolase E50Q mutant-Mg2+-ATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ndx1 | Authors: | Iwai, T, Nakagawa, N, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-05 | Release date: | 2005-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Nudix Protein Ndx1 from Thermus thermophilus HB8 in binary complex with diadenosine hexaphosphate To be Published
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1SOI
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![BU of 1soi by Molmil](/molmil-images/mine/1soi) | CRYSTAL STRUCTURE OF NUDIX HYDROLASE DR1025 IN COMPLEX WITH SM+3 | Descriptor: | MutT/nudix family protein, SAMARIUM (III) ION | Authors: | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-15 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes. J.Mol.Biol., 339, 2004
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1SJY
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![BU of 1sjy by Molmil](/molmil-images/mine/1sjy) | Crystal Structure of NUDIX HYDROLASE DR1025 FROM DEINOCOCCUS RADIODURANS | Descriptor: | MutT/nudix family protein | Authors: | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-04 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes. J.Mol.Biol., 339, 2004
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1VIU
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1VIQ
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1VHZ
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![BU of 1vhz by Molmil](/molmil-images/mine/1vhz) | Crystal structure of ADP compounds hydrolase | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP compounds hydrolase nudE | Authors: | Structural GenomiX | Deposit date: | 2003-12-01 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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6EQ4
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![BU of 6eq4 by Molmil](/molmil-images/mine/6eq4) | MTH1 in complex with fragment 8 | Descriptor: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ6
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![BU of 6eq6 by Molmil](/molmil-images/mine/6eq6) | MTH1 in complex with fragment 1 | Descriptor: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ2
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![BU of 6eq2 by Molmil](/molmil-images/mine/6eq2) | MTH1 in complex with fragment 6 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ7
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![BU of 6eq7 by Molmil](/molmil-images/mine/6eq7) | MTH1 in complex with fragment 11 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EHH
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![BU of 6ehh by Molmil](/molmil-images/mine/6ehh) | Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gustafsson, R, Narwal, M, Jemth, A.-S, Almlof, I, Warpman Berglund, U, Helleday, T, Stenmark, P. | Deposit date: | 2017-09-13 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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6F22
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![BU of 6f22 by Molmil](/molmil-images/mine/6f22) | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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