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8DCF
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BU of 8dcf by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Cu2+ and GTP
分子名称: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Jacewicz, A, Dantuluri, S, Shuman, S.
登録日2022-06-16
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
8DCA
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BU of 8dca by Molmil
RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP
分子名称: COBALT (II) ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Jacewicz, A, Dantuluri, S, Shuman, S.
登録日2022-06-16
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structures of RNA ligase RtcB in complexes with divalent cations and GTP.
Rna, 28, 2022
5LVO
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BU of 5lvo by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket
分子名称: 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
6USJ
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BU of 6usj by Molmil
Structure of two nucleosomes bridged by human PARP2
分子名称: Histone H2A, Histone H2B type 1-J, Histone H3.1, ...
著者Gaullier, G, Bowerman, S, Luger, K.
登録日2019-10-27
公開日2020-10-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献Bridging of nucleosome-proximal DNA double-strand breaks by PARP2 enhances its interaction with HPF1.
Plos One, 15, 2020
7T7N
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BU of 7t7n by Molmil
Structure of SPCC1393.13 protein from fission yeast
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7O
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BU of 7t7o by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
分子名称: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, PHOSPHATE ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7K
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BU of 7t7k by Molmil
Structure of SPAC806.04c protein from fission yeast bound to Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
5MRD
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BU of 5mrd by Molmil
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
登録日2016-12-22
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
6CGV
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BU of 6cgv by Molmil
Revised crystal structure of human adenovirus
分子名称: Hexon protein, Hexon-interlacing protein, Penton protein, ...
著者Natchiar, S.K, Venkataraman, S, Nemerow, G.R, Reddy, V.S.
登録日2018-02-21
公開日2018-04-25
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Revised Crystal Structure of Human Adenovirus Reveals the Limits on Protein IX Quasi-Equivalence and on Analyzing Large Macromolecular Complexes.
J. Mol. Biol., 430, 2018
6VT4
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BU of 6vt4 by Molmil
Naegleria gruberi RNA ligase R149A mutant apo
分子名称: RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTE
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BU of 6vte by Molmil
Naegleria gruberi RNA Ligase K170M mutant with AMP and Mn
分子名称: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VT8
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BU of 6vt8 by Molmil
Naegleria gruberi RNA ligase E312A mutant with AMP and Mn
分子名称: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VT6
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BU of 6vt6 by Molmil
Naegleria gruberi RNA ligase K170A mutant with ATP and Mn
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTG
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BU of 6vtg by Molmil
Naegleria gruberi RNA ligase E227A mutant apo
分子名称: RNA ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
5LVM
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BU of 5lvm by Molmil
Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
6VT3
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BU of 6vt3 by Molmil
Naegleria gruberi RNA ligase K326A mutant apo
分子名称: RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTD
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BU of 6vtd by Molmil
Naegleria gruberi RNA ligase R149A mutant with ATP and Mn
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VT5
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BU of 6vt5 by Molmil
Naegleria gruberi RNA ligase R4a K121A mutant apo
分子名称: RNA Ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTF
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BU of 6vtf by Molmil
Naegleria gruberi RNA ligase with PPi
分子名称: PYROPHOSPHATE 2-, RNA ligase
著者Unciuleac, M.C, Goldgur, Y, Shuman, S.
登録日2020-02-12
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6GD4
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BU of 6gd4 by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188)
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-21
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6GDP
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BU of 6gdp by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162)
分子名称: 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-24
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
5LHS
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BU of 5lhs by Molmil
The ligand free catalytic domain of murine urokinase-type plasminogen activator
分子名称: NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
6GEX
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BU of 6gex by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246)
分子名称: 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-27
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6X1Q
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BU of 6x1q by Molmil
1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope
分子名称: Beta-galactosidase, MAGNESIUM ION, SODIUM ION
著者Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S.
登録日2020-05-19
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.8 Å)
主引用文献1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope.
Iucrj, 7, 2020
6GEY
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BU of 6gey by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125)
分子名称: 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-27
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019

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