4QE1
 
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5MZI
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | | Descriptor: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
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5N7T
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-02-21 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
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4QE5
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4CQ8
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178 | | Descriptor: | 5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
J.Biol.Chem., 289, 2014
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4CQ9
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 | | Descriptor: | 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
J.Biol.Chem., 289, 2014
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4CQA
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6273 | | Descriptor: | 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
J.Biol.Chem., 289, 2014
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5VX0
 | | Bak in complex with Bim-h3Glg | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-11-15 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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1MK3
 | | SOLUTION STRUCTURE OF HUMAN BCL-W PROTEIN | | Descriptor: | Apoptosis regulator Bcl-W | | Authors: | Denisov, A.Y, Madiraju, M.S, Chen, G, Khadir, A, Beauparlant, P, Attardo, G, Shore, G.C, Gehring, K. | | Deposit date: | 2002-08-28 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human BCL-w: modulation of ligand binding by the C-terminal helix
J.BIOL.CHEM., 278, 2003
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6AHU
 | | Cryo-EM structure of human Ribonuclease P with mature tRNA | | Descriptor: | H1 RNA, Ribonuclease P protein subunit p14, Ribonuclease P protein subunit p20, ... | | Authors: | Wu, J, Niu, S, Tan, M, Lan, P, Lei, M. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Cryo-EM Structure of the Human Ribonuclease P Holoenzyme.
Cell, 175, 2018
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6AHV
 | | Crystal structure of human RPP40 | | Descriptor: | Ribonuclease P protein subunit p40 | | Authors: | Wu, J, Niu, S, Tan, M, Lan, P, Lei, M. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cryo-EM Structure of the Human Ribonuclease P Holoenzyme.
Cell, 175, 2018
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6AHR
 | | Cryo-EM structure of human Ribonuclease P | | Descriptor: | H1 RNA, Ribonuclease P protein subunit p14, Ribonuclease P protein subunit p20, ... | | Authors: | Wu, J, Niu, S, Tan, M, Lan, P, Lei, M. | | Deposit date: | 2018-08-20 | | Release date: | 2018-12-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Cryo-EM Structure of the Human Ribonuclease P Holoenzyme.
Cell, 175, 2018
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7WTD
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTE
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 2 | | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTA
 | | Cryo-EM structure of human pyruvate carboxylase in apo state | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Pyruvate carboxylase, mitochondrial | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTC
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the ground state | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTB
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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6K0B
 | | cryo-EM structure of archaeal Ribonuclease P with mature tRNA | | Descriptor: | 50S ribosomal protein L7Ae, RPR, Ribonuclease P protein component 1, ... | | Authors: | Wan, F, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2019-05-05 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-electron microscopy structure of an archaeal ribonuclease P holoenzyme.
Nat Commun, 10, 2019
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6K0A
 | | cryo-EM structure of an archaeal Ribonuclease P | | Descriptor: | 50S ribosomal protein L7Ae, RPR, Ribonuclease P protein component 1, ... | | Authors: | Wan, F, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2019-05-05 | | Release date: | 2019-06-19 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-electron microscopy structure of an archaeal ribonuclease P holoenzyme.
Nat Commun, 10, 2019
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5VWX
 | | Bak core latch dimer in complex with Bim-h0-h3Glt | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11 | | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-11-15 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.489 Å) | | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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6ZAC
 | | PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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6ZAD
 | | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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7D58
 | | cryo-EM structure of human RNA polymerase III in elongating state | | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | Authors: | Wang, Q, Wan, F, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into transcriptional regulation of human RNA polymerase III.
Nat.Struct.Mol.Biol., 28, 2021
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7D59
 | | cryo-EM structure of human RNA polymerase III in apo state | | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | Authors: | Wang, Q, Wan, F, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into transcriptional regulation of human RNA polymerase III.
Nat.Struct.Mol.Biol., 28, 2021
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2XUE
 | | CRYSTAL STRUCTURE OF JMJD3 | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | | Deposit date: | 2010-10-19 | | Release date: | 2011-12-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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