7M2F
 
 | | CDK2 with compound 14 inhibitor with carboxylate | | Descriptor: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | | Authors: | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.632 Å) | | Cite: | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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1O62
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1O64
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3T04
 | | Crystal structure of monobody 7c12/abl1 sh2 domain complex | | Descriptor: | GLYCEROL, MONOBODY 7C12, SULFATE ION, ... | | Authors: | Wojcik, J.B, Wyrzucki, A.M, Koide, S. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting the SH2-Kinase Interface in Bcr-Abl Inhibits Leukemogenesis.
Cell(Cambridge,Mass.), 147, 2011
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3TIH
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1O61
 | | Crystal structure of a PLP-dependent enzyme with PLP | | Descriptor: | ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase | | Authors: | Structural GenomiX | | Deposit date: | 2003-10-23 | | Release date: | 2003-11-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
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4DXJ
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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5UMQ
 | | Crystal structure of TnmS1, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UMX
 | | Crystal structure of TnmS3 in complex with riboflavin | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, RIBOFLAVIN | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UN5
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1O68
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7OOZ
 | | Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ... | | Authors: | Narczyk, M, Stefanic, Z. | | Deposit date: | 2021-05-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
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7OP9
 | | Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 2,6-dichloropurine | | Descriptor: | 2,6-bis(chloranyl)-7H-purine, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Narczyk, M, Stefanic, Z. | | Deposit date: | 2021-05-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
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7OPA
 | | Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzylthiopurine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ... | | Authors: | Narczyk, M, Stefanic, Z. | | Deposit date: | 2021-05-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
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7OOY
 | | Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzylthio-2-chloropurine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzylthio-2-chloropurine, GLYCEROL, ... | | Authors: | Narczyk, M, Stefanic, Z. | | Deposit date: | 2021-05-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
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3SKG
 | | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide | | Descriptor: | (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2011-06-22 | | Release date: | 2011-09-07 | | Last modified: | 2012-12-05 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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5UMP
 | | Crystal structure of TnmS3, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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5UMW
 | | Crystal structure of TnmS2, an antibiotic binding protein from Streptomyces sp. CB03234 | | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, RIBOFLAVIN | | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-01-29 | | Release date: | 2018-07-04 | | Last modified: | 2020-09-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
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7M2E
 | | Crystal structure of BPTF bromodomain in complex with CB02-092 | | Descriptor: | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Nithianantham, S, Fischer, M. | | Deposit date: | 2021-03-16 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition
J.Med.Chem., 64, 2021
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7PBU
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvA-HJ core [t2 dataset] | | Descriptor: | Holliday junction, Holliday junction ATP-dependent DNA helicase RuvA | | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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7PBT
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s1 [t1 dataset] | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | Authors: | Wald, J, Fahrenkamp, D, Goessweiner-Mohr, N, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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7PBQ
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t2 dataset] | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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7PBS
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t1 dataset] | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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7PBR
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0-A [t2 dataset] | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ... | | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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5UG6
 | | Perforin C2 Domain - T431D | | Descriptor: | IODIDE ION, Perforin-1 | | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | | Deposit date: | 2017-01-07 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin.
Cell Death Differ., 25, 2018
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