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4LD4
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BU of 4ld4 by Molmil
Crystal structure of NE0047 in complex with cytosine
分子名称: 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
著者Bitra, A, Biswas, A, Anand, R.
登録日2013-06-24
公開日2014-01-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
8OUY
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BU of 8ouy by Molmil
Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 3.4 A resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
著者Greenhough, L.A, Liang, C.C, West, S.C.
登録日2023-04-25
公開日2023-06-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
8OUZ
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BU of 8ouz by Molmil
Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 2.2 A resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
著者Greenhough, L.A, Liang, C.C, West, S.C.
登録日2023-04-25
公開日2023-06-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
4PXI
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BU of 4pxi by Molmil
Elucidation of the Structural and Functional Mechanism of Action of the TetR Family Protein, CprB from S. coelicolor A3(2)
分子名称: CprB, DNA (5'-D(*AP*CP*AP*TP*AP*CP*GP*GP*GP*AP*CP*GP*CP*CP*CP*CP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(*AP*TP*AP*AP*AP*CP*GP*GP*GP*GP*CP*GP*TP*CP*CP*CP*GP*TP*AP*TP*GP*T)-3')
著者Hussain, B, Ruchika, B, Aruna, B, Ruchi, A.
登録日2014-03-24
公開日2014-07-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and functional basis of transcriptional regulation by TetR family protein CprB from S. coelicolor A3(2)
Nucleic Acids Res., 42, 2014
6PCB
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BU of 6pcb by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (H356A) in complex with COA
分子名称: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6PCC
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BU of 6pcc by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (H356A) in complex hexanoyl coenzyme A
分子名称: Beta-ketoadipyl-CoA thiolase, COENZYME A, GLYCEROL, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6PCD
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BU of 6pcd by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
分子名称: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6PCA
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BU of 6pca by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase
分子名称: ACETATE ION, Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
1UW8
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BU of 1uw8 by Molmil
CRYSTAL STRUCTURE OF OXALATE DECARBOXYLASE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, OXALATE DECARBOXYLASE OXDC
著者Just, V.J, Stevenson, C.E.M, Bowater, L, Tanner, A, Lawson, D.M, Bornemann, S.
登録日2004-02-02
公開日2004-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Closed Conformation of Bacillus Subtilis Oxalate Decarboxylase Oxdc Provides Evidence for the True Identity of the Active Site
J.Biol.Chem., 279, 2004
7SVM
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BU of 7svm by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVO
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BU of 7svo by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVN
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BU of 7svn by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
2HS0
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BU of 2hs0 by Molmil
T. maritima PurL complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II
著者Ealick, S.E, Morar, M.
登録日2006-07-20
公開日2007-01-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
2HRY
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BU of 2hry by Molmil
T. maritima PurL complexed with AMPPCP
分子名称: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Ealick, S.E, Morar, M.
登録日2006-07-20
公開日2007-01-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
2HS4
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BU of 2hs4 by Molmil
T. maritima PurL complexed with FGAR and AMPPCP
分子名称: MAGNESIUM ION, N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, ...
著者Ealick, S.E, Morar, M.
登録日2006-07-21
公開日2007-01-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
2HS3
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BU of 2hs3 by Molmil
T. maritima PurL complexed with FGAR
分子名称: N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, Phosphoribosylformylglycinamidine synthase II
著者Ealick, S.E, Morar, M.
登録日2006-07-21
公開日2007-01-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
2HRU
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BU of 2hru by Molmil
T. maritima PurL complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II
著者Ealick, S.E, Morar, M.
登録日2006-07-20
公開日2007-01-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
4D25
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BU of 4d25 by Molmil
Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA and AMPPNP
分子名称: 5'-R(*UP*GP*AP*CP*AP*UP)-3', BMVLG PROTEIN, GLYCEROL, ...
著者Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
登録日2014-05-07
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
4D26
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BU of 4d26 by Molmil
Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA,ADP and Pi
分子名称: 5'-R(*UP*GP*AP*CP*AP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, BMVLG PROTEIN, ...
著者Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
登録日2014-05-07
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
5O8M
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BU of 5o8m by Molmil
Crystal structure of the MmI1 YTH domain
分子名称: GLYCEROL, YTH domain-containing protein mmi1
著者Brettschneider, J, Verdel, A, Kadlec, J.
登録日2017-06-13
公開日2018-04-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective termination of lncRNA transcription promotes heterochromatin silencing and cell differentiation.
EMBO J., 36, 2017
4QUC
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BU of 4quc by Molmil
Crystal structure of chromodomain of Rhino
分子名称: RE36324p
著者Li, S, Patel, D.J.
登録日2014-07-10
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014

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