7X9O
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![BU of 7x9o by Molmil](/molmil-images/mine/7x9o) | Crystal structure of MutT-8-oxo-dGMP complex with Mg2+ ions: Reaction using Mg2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-03-15 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCN
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![BU of 7zcn by Molmil](/molmil-images/mine/7zcn) | Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start) | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCO
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![BU of 7zco by Molmil](/molmil-images/mine/7zco) | Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCP
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![BU of 7zcp by Molmil](/molmil-images/mine/7zcp) | Nitrite-bound MSOX movie series dataset 17 (13.6 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitric oxide (NO) intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCQ
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![BU of 7zcq by Molmil](/molmil-images/mine/7zcq) | Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCR
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![BU of 7zcr by Molmil](/molmil-images/mine/7zcr) | Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCS
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![BU of 7zcs by Molmil](/molmil-images/mine/7zcs) | Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final) | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2022-03-28 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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8BET
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8CDO
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![BU of 8cdo by Molmil](/molmil-images/mine/8cdo) | |
8CH1
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![BU of 8ch1 by Molmil](/molmil-images/mine/8ch1) | PBP AccA from A. vitis S4 in complex with Agrocinopine A | Descriptor: | 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-02-06 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8CH3
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![BU of 8ch3 by Molmil](/molmil-images/mine/8ch3) | PBP AccA from A. vitis S4 in complex with Agrocinopine C-like | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-02-06 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8CKE
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8CKO
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![BU of 8cko by Molmil](/molmil-images/mine/8cko) | PBP AccA from A.tumefaciens C58 in complex with agrocinopine C-like | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate-binding protein, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8DC9
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![BU of 8dc9 by Molmil](/molmil-images/mine/8dc9) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Mn2+ and GTP | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DCA
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![BU of 8dca by Molmil](/molmil-images/mine/8dca) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP | Descriptor: | COBALT (II) ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DCB
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![BU of 8dcb by Molmil](/molmil-images/mine/8dcb) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Ni2+ and GTP | Descriptor: | CHLORIDE ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DCD
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![BU of 8dcd by Molmil](/molmil-images/mine/8dcd) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Zn2+ and GTP | Descriptor: | CHLORIDE ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DCF
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![BU of 8dcf by Molmil](/molmil-images/mine/8dcf) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Cu2+ and GTP | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DCG
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![BU of 8dcg by Molmil](/molmil-images/mine/8dcg) | Structure of guanylylated RNA ligase RtcB from Pyrococcus horikoshii | Descriptor: | CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
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8DZD
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![BU of 8dzd by Molmil](/molmil-images/mine/8dzd) | |
8FYY
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8FYZ
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![BU of 8fyz by Molmil](/molmil-images/mine/8fyz) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | Descriptor: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
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8FZ1
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![BU of 8fz1 by Molmil](/molmil-images/mine/8fz1) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | Descriptor: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
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8JMH
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8R8S
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![BU of 8r8s by Molmil](/molmil-images/mine/8r8s) | Low pH (5.5) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.57 MGy] | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | Authors: | Ferroni, F.M, Antonyuk, S.V, Rose, S.L, Eady, R.R, Hasnain, S.S. | Deposit date: | 2023-11-29 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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