6YM2
| Crystal structure of YTHDC1 with compound ADO_AC_25 | Descriptor: | SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of YTHDC1 with compound ADO_AC_25 To Be Published
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6YM8
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6ZD4
| Crystal structure of YTHDC1 S378A mutant | Descriptor: | SULFATE ION, YTH domain containing 1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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6ZD3
| Crystal structure of YTHDC1 M438A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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6ZD5
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6ZDA
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1G91
| SOLUTION STRUCTURE OF MYELOID PROGENITOR INHIBITORY FACTOR-1 (MPIF-1) | Descriptor: | MYELOID PROGENITOR INHIBITORY FACTOR-1 | Authors: | Rajarathnam, K, Li, Y, Rohrer, T, Gentz, R. | Deposit date: | 2000-11-21 | Release date: | 2001-03-07 | Last modified: | 2022-12-21 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of myeloid progenitor inhibitory factor-1 (MPIF-1), a novel monomeric CC chemokine. J.Biol.Chem., 276, 2001
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6ZD8
| Crystal structure of YTHDC1 T379V mutant | Descriptor: | SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-14 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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6ZD7
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7DNO
| Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | Deposit date: | 2020-12-10 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5. Molecules, 26, 2021
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7D2L
| Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | Descriptor: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-16 | Release date: | 2021-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D8C
| Crystal structure of the Cas12i1-crRNA binary complex | Descriptor: | 12i1, CITRIC ACID, RNA (3-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-10-07 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D3J
| Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage | Descriptor: | 12i1-WT, CITRIC ACID, DNA (23-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-19 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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6P7I
| Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | Descriptor: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-05 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor J.Med.Chem., 63, 2020
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5K8L
| Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-30 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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5K8U
| Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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5K8I
| Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-30 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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5K8T
| Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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4H53
| Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors Nat Commun, 4, 2013
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1Z2D
| Solution Structure of Bacillus subtilis ArsC in reduced state | Descriptor: | Arsenate reductase | Authors: | Jin, C, Li, Y. | Deposit date: | 2005-03-08 | Release date: | 2005-10-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structures and Backbone Dynamics of Arsenate Reductase from Bacillus subtilis: REVERSIBLE CONFORMATIONAL SWITCH ASSOCIATED WITH ARSENATE REDUCTION J.Biol.Chem., 280, 2005
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7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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5JWH
| Apo structure | Descriptor: | 1,2-ETHANEDIOL, NS3 helicase | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-12 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
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4H52
| Wild-type influenza N2 neuraminidase covalent complex with 3-fluoro-Neu5Ac | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ... | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors Nat Commun, 4, 2013
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1Z2E
| Solution Structure of Bacillus subtilis ArsC in oxidized state | Descriptor: | Arsenate reductase | Authors: | Jin, C, Li, Y. | Deposit date: | 2005-03-08 | Release date: | 2005-10-04 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution Structures and Backbone Dynamics of Arsenate Reductase from Bacillus subtilis: REVERSIBLE CONFORMATIONAL SWITCH ASSOCIATED WITH ARSENATE REDUCTION J.Biol.Chem., 280, 2005
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5ICK
| A unique binding model of FXR LBD with feroline | Descriptor: | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2 | Authors: | Lu, Y, Li, Y. | Deposit date: | 2016-02-23 | Release date: | 2017-03-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly Chembiochem, 18, 2017
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