8I1D
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![BU of 8i1d by Molmil](/molmil-images/mine/8i1d) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 7.7 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I1E
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![BU of 8i1e by Molmil](/molmil-images/mine/8i1e) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.0 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I19
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7JWW
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![BU of 7jww by Molmil](/molmil-images/mine/7jww) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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8I18
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8I1H
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8I1J
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![BU of 8i1j by Molmil](/molmil-images/mine/8i1j) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 9.7 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I8T
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7JZ2
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![BU of 7jz2 by Molmil](/molmil-images/mine/7jz2) | Succinate: quinone oxidoreductase SQR from E.coli K12 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W. | Deposit date: | 2020-09-01 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. Nat.Methods, 18, 2021
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7K0Y
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![BU of 7k0y by Molmil](/molmil-images/mine/7k0y) | Cryo-EM structure of activated-form DNA-PK (complex VI) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-06 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
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7K2V
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8I1F
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![BU of 8i1f by Molmil](/molmil-images/mine/8i1f) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.6 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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7K1W
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8I8S
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7K4Y
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![BU of 7k4y by Molmil](/molmil-images/mine/7k4y) | Crystal structure of Kemp Eliminase HG3.17 at 343 K | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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8IQ7
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8I1G
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7K4X
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![BU of 7k4x by Molmil](/molmil-images/mine/7k4x) | Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7JPK
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![BU of 7jpk by Molmil](/molmil-images/mine/7jpk) | Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-09 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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1PX9
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![BU of 1px9 by Molmil](/molmil-images/mine/1px9) | Solution structure of the native CnErg1 Ergtoxin, a highly specific inhibitor of HERG channel | Descriptor: | ergtoxin | Authors: | Frenal, K, Wecker, K, Gurrola, G.B, Possani, L.D, Wolff, N, Delepierre, M. | Deposit date: | 2003-07-03 | Release date: | 2004-06-22 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Exploring structural features of the interaction between the scorpion toxinCnErg1 and ERG K+ channels. Proteins, 56, 2004
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1Q3V
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![BU of 1q3v by Molmil](/molmil-images/mine/1q3v) | Crystal structure of a wild-type Cre recombinase-loxP synapse: phosphotyrosine covalent intermediate | Descriptor: | Cre recombinase, IODIDE ION, MAGNESIUM ION, ... | Authors: | Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D. | Deposit date: | 2003-08-01 | Release date: | 2003-09-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation Nucleic Acids Res., 31, 2003
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7JY9
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![BU of 7jy9 by Molmil](/molmil-images/mine/7jy9) | Structure of a 9 base pair RecA-D loop complex | Descriptor: | DNA (27-MER), DNA (42-MER), MAGNESIUM ION, ... | Authors: | Pavletich, N.P. | Deposit date: | 2020-08-29 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures. Nature, 586, 2020
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8I5O
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8I5P
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2YQ5
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![BU of 2yq5 by Molmil](/molmil-images/mine/2yq5) | Crystal Structure of D-isomer specific 2-hydroxyacid dehydrogenase from Lactobacillus delbrueckii ssp. bulgaricus: NAD complexed form | Descriptor: | D-ISOMER SPECIFIC 2-HYDROXYACID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Holton, S.J, Anandhakrishnan, M, Geerlof, A, Wilmanns, M. | Deposit date: | 2012-11-05 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Characterization of D-Isomer Specific 2-Hydroxyacid Dehydrogenase from Lactobacillus Delbrueckii Ssp. Bulgaricus J.Struct.Biol., 181, 2013
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