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
| 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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5I78
| Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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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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5I77
| Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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5GM4
| Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose | Descriptor: | Endoglucanase-1, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
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5GM3
| Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 | Descriptor: | CACODYLATE ION, Endoglucanase-1, ZINC ION | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
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5I79
| Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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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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7K0V
| Crystal structure of bRaf in complex with inhibitor GNE-0749 | Descriptor: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | Deposit date: | 2020-09-06 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J.Med.Chem., 64, 2021
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8I0C
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7T6U
| Structure of the human FPR2-Gi complex with CGEN-855A | Descriptor: | B9-scFv, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhuang, Y.W. | Deposit date: | 2021-12-14 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2. Nat Commun, 13, 2022
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7T6V
| Structure of the human FPR2-Gi complex with fMLFII | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhuang, Y.W. | Deposit date: | 2021-12-14 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2. Nat Commun, 13, 2022
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7T6S
| Structure of the human FPR2-Gi complex with compound C43 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhuang, Y.W. | Deposit date: | 2021-12-14 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2. Nat Commun, 13, 2022
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7T6T
| Structure of the human FPR1-Gi complex with fMLFII | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhuang, Y.W. | Deposit date: | 2021-12-14 | Release date: | 2022-03-30 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2. Nat Commun, 13, 2022
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6ITG
| a new alginate lyase (PL6) from Vibrio splendidus OU02 | Descriptor: | Alginate lyase, GLYCEROL, MALONATE ION | Authors: | Liu, W.Z, Lyu, Q.Q. | Deposit date: | 2018-11-23 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution. Biochim Biophys Acta Gen Subj, 1863, 2019
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5B0J
| Structure of MoeN5-Sso7d fusion protein in complex with beta-undecyl maltoside | Descriptor: | MoeN5,DNA-binding protein 7d, UNDECYL-MALTOSIDE | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-30 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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5B0M
| Structure of MoeN5-Sso7d fusion protein in complex with beta-dodecyl maltoside | Descriptor: | DODECYL-BETA-D-MALTOSIDE, MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-11-02 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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6KA2
| Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN | Descriptor: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2 | Authors: | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-06-20 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into thebaine synthase 2 catalysis. Biochem.Biophys.Res.Commun., 529, 2020
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5B02
| Structure of the prenyltransferase MoeN5 with a fusion protein tag of Sso7d | Descriptor: | MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-27 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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5B03
| Structure of MoeN5-Sso7d fusion protein in complex with geranyl pyrophosphate | Descriptor: | GERANYL DIPHOSPHATE, MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-27 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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6KA3
| Crystal structure of a Thebaine synthase from Papaver somniferum | Descriptor: | PALMITIC ACID, SULFATE ION, Thebaine synthase 2 | Authors: | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-06-20 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural insights into thebaine synthase 2 catalysis. Biochem.Biophys.Res.Commun., 529, 2020
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5B00
| Structure of the prenyltransferase MoeN5 in complex with geranyl pyrophosphate | Descriptor: | GERANYL DIPHOSPHATE, MoeN5 | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2015-10-27 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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5B0L
| Structure of MoeN5-Sso7d fusion protein in complex with beta-nonyl glucoside | Descriptor: | MoeN5,DNA-binding protein 7d, nonyl beta-D-glucopyranoside | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-11-02 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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1DKC
| SOLUTION STRUCTURE OF PAFP-S, AN ANTIFUNGAL PEPTIDE FROM THE SEEDS OF PHYTOLACCA AMERICANA | Descriptor: | ANTIFUNGAL PEPTIDE | Authors: | Wang, D.C, Gao, G.H, Shao, F, Dai, J.X, Wang, J.F. | Deposit date: | 1999-12-07 | Release date: | 2000-12-13 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of PAFP-S: a new knottin-type antifungal peptide from the seeds of Phytolacca americana Biochemistry, 40, 2001
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