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1OTX
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BU of 1otx by Molmil
Purine Nucleoside Phosphorylase M64V mutant
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J.
Deposit date:2003-03-23
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
5FIS
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BU of 5fis by Molmil
Exonuclease domain-containing 1 (Exd1) in the Gd bound conformation
Descriptor: EXD1, GADOLINIUM ATOM
Authors:Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S.
Deposit date:2015-10-02
Release date:2015-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
5FIQ
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BU of 5fiq by Molmil
Exonuclease domain-containing 1 (Exd1) in the native conformation
Descriptor: EXD1
Authors:Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S.
Deposit date:2015-10-01
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
Descriptor: 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
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 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
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
Authors:Greenhough, L.A, Liang, C.C, West, S.C.
Deposit date:2023-04-25
Release date:2023-06-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
Authors:Greenhough, L.A, Liang, C.C, West, S.C.
Deposit date:2023-04-25
Release date:2023-06-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite: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)
Descriptor: 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')
Authors:Hussain, B, Ruchika, B, Aruna, B, Ruchi, A.
Deposit date:2014-03-24
Release date:2014-07-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional basis of transcriptional regulation by TetR family protein CprB from S. coelicolor A3(2)
Nucleic Acids Res., 42, 2014
6PCA
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BU of 6pca by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase
Descriptor: ACETATE ION, Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6PCB
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BU of 6pcb by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (H356A) in complex with COA
Descriptor: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: Beta-ketoadipyl-CoA thiolase, COENZYME A, GLYCEROL, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, OXALATE DECARBOXYLASE OXDC
Authors:Just, V.J, Stevenson, C.E.M, Bowater, L, Tanner, A, Lawson, D.M, Bornemann, S.
Deposit date:2004-02-02
Release date:2004-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.78 Å)
Cite: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
Descriptor: (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
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
2HRY
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BU of 2hry by Molmil
T. maritima PurL complexed with AMPPCP
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Ealick, S.E, Morar, M.
Deposit date:2006-07-20
Release date:2007-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
2HS0
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BU of 2hs0 by Molmil
T. maritima PurL complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II
Authors:Ealick, S.E, Morar, M.
Deposit date:2006-07-20
Release date:2007-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor: N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, Phosphoribosylformylglycinamidine synthase II
Authors:Ealick, S.E, Morar, M.
Deposit date:2006-07-21
Release date:2007-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II
Authors:Ealick, S.E, Morar, M.
Deposit date:2006-07-20
Release date:2007-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: MAGNESIUM ION, N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, ...
Authors:Ealick, S.E, Morar, M.
Deposit date:2006-07-21
Release date:2007-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 5'-R(*UP*GP*AP*CP*AP*UP)-3', BMVLG PROTEIN, GLYCEROL, ...
Authors:Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
Deposit date:2014-05-07
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5'-R(*UP*GP*AP*CP*AP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, BMVLG PROTEIN, ...
Authors:Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
Deposit date:2014-05-07
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014

238582

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