2ICJ
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![BU of 2icj by Molmil](/molmil-images/mine/2icj) | The crystal structure of human isopentenyl diphophate isomerase | Descriptor: | Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION | Authors: | Zheng, W, Bartlam, M, Rao, Z. | Deposit date: | 2006-09-12 | Release date: | 2007-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis J.Mol.Biol., 366, 2007
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5YOF
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![BU of 5yof by Molmil](/molmil-images/mine/5yof) | |
5YOD
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![BU of 5yod by Molmil](/molmil-images/mine/5yod) | |
7A6O
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![BU of 7a6o by Molmil](/molmil-images/mine/7a6o) | |
6JIF
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![BU of 6jif by Molmil](/molmil-images/mine/6jif) | Crystal Structures of Branched-Chain Aminotransferase from Pseudomonas sp. UW4 | Descriptor: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Zheng, X, Guo, L, Li, D.F, Wu, B. | Deposit date: | 2019-02-21 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids. Appl.Microbiol.Biotechnol., 103, 2019
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5W0F
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![BU of 5w0f by Molmil](/molmil-images/mine/5w0f) | CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | Descriptor: | 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein | Authors: | Murray, J.M. | Deposit date: | 2017-05-30 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5W0L
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![BU of 5w0l by Molmil](/molmil-images/mine/5w0l) | CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | Descriptor: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein | Authors: | Murray, J.M. | Deposit date: | 2017-05-31 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5W0E
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![BU of 5w0e by Molmil](/molmil-images/mine/5w0e) | CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide) | Descriptor: | 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein | Authors: | Murray, J.M. | Deposit date: | 2017-05-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors. J. Med. Chem., 60, 2017
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4Q2V
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![BU of 4q2v by Molmil](/molmil-images/mine/4q2v) | Crystal Structure of Ricin A chain complexed with Baicalin inhibitor | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin | Authors: | Deng, X, Li, X, Dong, J, Chen, Y. | Deposit date: | 2014-04-10 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization. J.Biol.Chem., 290, 2015
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5W0I
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![BU of 5w0i by Molmil](/molmil-images/mine/5w0i) | CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | Descriptor: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | Authors: | Murray, J.M. | Deposit date: | 2017-05-30 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5W0Q
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![BU of 5w0q by Molmil](/molmil-images/mine/5w0q) | CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide) | Descriptor: | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION | Authors: | Murray, J.M. | Deposit date: | 2017-05-31 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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5YJ6
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![BU of 5yj6 by Molmil](/molmil-images/mine/5yj6) | The exoglucanase CelS from Clostridium thermocellum | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein | Authors: | Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q. | Deposit date: | 2017-10-09 | Release date: | 2018-01-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum Biotechnol Biofuels, 11, 2018
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8J2F
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![BU of 8j2f by Molmil](/molmil-images/mine/8j2f) | Human neutral shpingomyelinase | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | Authors: | Zhang, S.S. | Deposit date: | 2023-04-14 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2). Nat Commun, 14, 2023
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7Y5Q
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![BU of 7y5q by Molmil](/molmil-images/mine/7y5q) | Structure of 1:1 PAPP-A.STC2 complex(half map) | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y5N
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![BU of 7y5n by Molmil](/molmil-images/mine/7y5n) | Structure of 1:1 PAPP-A.ProMBP complex(half map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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6UTS
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![BU of 6uts by Molmil](/molmil-images/mine/6uts) | |
6V0N
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![BU of 6v0n by Molmil](/molmil-images/mine/6v0n) | PRMT5 bound to PBM peptide from Riok1 | Descriptor: | Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ... | Authors: | McMIllan, B.J, Raymond, D.D. | Deposit date: | 2019-11-19 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021
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6V0O
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![BU of 6v0o by Molmil](/molmil-images/mine/6v0o) | PRMT5 bound to the PBM peptide from pICln | Descriptor: | ACETYL GROUP, Methylosome protein 50, PBM peptide, ... | Authors: | McMillan, B.J, Raymond, D.D. | Deposit date: | 2019-11-19 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | Descriptor: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | Descriptor: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | Descriptor: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6W7F
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![BU of 6w7f by Molmil](/molmil-images/mine/6w7f) | Structure of EED bound to inhibitor 5285 | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6I58
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![BU of 6i58 by Molmil](/molmil-images/mine/6i58) | Allosteric activation of human prekallikrein by apple domain disc rotation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | Deposit date: | 2018-11-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
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1Z6E
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![BU of 1z6e by Molmil](/molmil-images/mine/1z6e) | |
6I44
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![BU of 6i44 by Molmil](/molmil-images/mine/6i44) | Allosteric activation of human prekallikrein by apple domain disc rotation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J. | Deposit date: | 2018-11-09 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
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