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5LVL
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BU of 5lvl by Molmil
Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ...
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 (1.4 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
6VT0
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BU of 6vt0 by Molmil
Naegleria gruberi RNA ligase K170A 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 (2.002 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
6VTB
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BU of 6vtb by Molmil
Naegleria gruberi RNA ligase K326A 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 (1.547 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
6GD0
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BU of 6gd0 by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133)
分子名称: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-20
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 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
6GDO
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BU of 6gdo by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240)
分子名称: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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 (1.78 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
4AOA
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BU of 4aoa by Molmil
Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus
分子名称: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL
著者Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B.
登録日2012-03-25
公開日2012-10-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Biochemical Properties and Crystal Structure of a Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus.
Appl.Environ.Microbiol., 79, 2013
7U1Y
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BU of 7u1y by Molmil
Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+
分子名称: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 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
7U1V
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BU of 7u1v by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
分子名称: Damage-control phosphatase SPAC806.04c, NICKEL (II) ION, PHOSPHATE ION, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 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
7U1X
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BU of 7u1x by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
分子名称: Damage-control phosphatase SPAC806.04c, PHOSPHATE ION, ZINC ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 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
6VT9
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BU of 6vt9 by Molmil
Naegleria gruberi RNA ligase E227A 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 (2.49 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
6GCK
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BU of 6gck by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206)
分子名称: 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-18
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 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
6VYF
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BU of 6vyf by Molmil
Cryo-EM structure of Plasmodium vivax hexokinase (Open state)
分子名称: Phosphotransferase
著者Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
登録日2020-02-26
公開日2020-05-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
5LVN
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BU of 5lvn by Molmil
Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ...
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 (1.379 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
5LVP
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BU of 5lvp by Molmil
Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
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2019-10-16
実験手法X-RAY DIFFRACTION (2.5 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
6GCQ
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BU of 6gcq by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192)
分子名称: 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-18
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 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
6VT1
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BU of 6vt1 by Molmil
Naegleria gruberi RNA ligase D172A mutant apo
分子名称: ADENOSINE MONOPHOSPHATE, 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 (2.381 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
6VYG
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BU of 6vyg by Molmil
Cryo-EM structure of Plasmodium vivax hexokinase (Closed state)
分子名称: Phosphotransferase
著者Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
登録日2020-02-26
公開日2020-05-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
6GF1
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BU of 6gf1 by Molmil
The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome
分子名称: SULFATE ION, Ubiquitin D
著者Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S.
登録日2018-04-28
公開日2018-08-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
8PX5
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BU of 8px5 by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A
分子名称: Rpb7-binding protein seb1
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
6GCL
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BU of 6gcl by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020)
分子名称: 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
著者Landi, G, Pozzi, C, Mangani, S.
登録日2018-04-18
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 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
6GCP
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BU of 6gcp by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186)
分子名称: 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ...
著者Pozzi, C, Landi, G, Mangani, S.
登録日2018-04-18
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
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
分子名称: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
著者Borggraefe, J, Gaussmann, S, Sattler, M.
登録日2023-07-04
公開日2023-08-23
最終更新日2023-08-30
実験手法SOLUTION NMR
主引用文献Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
6GF2
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BU of 6gf2 by Molmil
The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome
分子名称: Ubiquitin D
著者Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S.
登録日2018-04-29
公開日2018-08-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
4BR1
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BU of 4br1 by Molmil
Protease-induced heterodimer of human triosephosphate isomerase.
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者DeLaMora-DeLaMora, I, Torres-Larios, A, Hernandez-Alcantara, G, Mendoza-Hernandez, G, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Garcia-Torres, I, Torres-Arroyo, A, Gomez-Manzo, S, Marcial-Quino, J, Oria-Hernandez, J, Lopez-Velazquez, G, Reyes-Vivas, H.
登録日2013-06-03
公開日2013-06-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential Proteolysis in Human Triosephosphate Isomerase
To be Published
5DZW
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BU of 5dzw by Molmil
Protocadherin alpha 4 extracellular cadherin domains 1-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin alpha-4, ...
著者Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
登録日2015-09-26
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016

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