7MX7
 
 | | PRMT5:MEP50 complexed with inhibitor PF-06939999 | | Descriptor: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2021-05-18 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
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7MXC
 | | PRMT5:MEP50 complexed with adenosine | | Descriptor: | ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2021-05-18 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
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7MXA
 | | PRMT5:MEP50 complexed with inhibitor PF-06855800 | | Descriptor: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2021-05-18 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.713 Å) | | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
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8SHB
 | | Crystal Structure of PRMT3 with Compound YD1-208 | | Descriptor: | 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-13 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of PRMT3 with Compound YD1-208
To be published
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1K6L
 | | Photosynethetic Reaction Center from Rhodobacter sphaeroides | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M. | | Deposit date: | 2001-10-16 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
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8SIG
 | | Crystal Structure of PRMT4 with Compound YD1-288 | | Descriptor: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ... | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of PRMT4 with Compound YD1-288
To be published
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8SIH
 | | Crystal Structure of PRMT4 with Compound YD1-289 | | Descriptor: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of PRMT4 with Compound YD1-289
To be published
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8SHR
 | | Crystal Structure of PRMT3 with Compound YD1-214 | | Descriptor: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of PRMT3 with Compound YD1-214
To be published
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1K6N
 | | E(L212)A,D(L213)A Double Mutant Structure of Photosynthetic Reaction Center from Rhodobacter Sphaeroides | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M. | | Deposit date: | 2001-10-16 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
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2HY6
 | | A seven-helix coiled coil | | Descriptor: | General control protein GCN4, HEXANE-1,6-DIOL | | Authors: | Liu, J, Zheng, Q, Deng, Y, Cheng, C.S, Kallenbach, N.R, Lu, M. | | Deposit date: | 2006-08-04 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A seven-helix coiled coil.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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8SIO
 | | Crystal structure of PRMT3 with YD1-66 | | Descriptor: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of PRMT3 with YD1-66
To be published
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6QYH
 | | Structure of Apo HPAB from E.coli | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, CALCIUM ION, ... | | Authors: | Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M. | | Deposit date: | 2019-03-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
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6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFN
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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1IA8
 | | THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1 | | Descriptor: | CHK1 CHECKPOINT KINASE, SULFATE ION | | Authors: | Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
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2GUS
 | | Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction | | Descriptor: | Major outer membrane lipoprotein | | Authors: | Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M. | | Deposit date: | 2006-05-01 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006
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1T8Z
 | | Atomic Structure of A Novel Tryptophan-Zipper Pentamer | | Descriptor: | DODECAETHYLENE GLYCOL, Major outer membrane lipoprotein, SULFATE ION | | Authors: | Liu, J, Yong, W, Deng, Y, Kallenbach, N.R, Lu, M. | | Deposit date: | 2004-05-13 | | Release date: | 2004-11-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Atomic structure of a tryptophan-zipper pentamer.
Proc.Natl.Acad.Sci.USA, 101, 2004
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1S1D
 | | Structure and protein design of human apyrase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | | Deposit date: | 2004-01-06 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and protein design of a human platelet function inhibitor.
Cell(Cambridge,Mass.), 116, 2004
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1S18
 | | Structure and protein design of human apyrase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | | Deposit date: | 2004-01-05 | | Release date: | 2004-03-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and protein design of a human platelet function inhibitor.
Cell(Cambridge,Mass.), 116, 2004
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6QYI
 | | Structure of HPAB from E.coli in complex with FAD | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M. | | Deposit date: | 2019-03-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
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3ZBF
 | | Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2012-11-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1
N.Engl.J.Med., 368, 2013
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6WF3
 | | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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