5TJB
 
 | | I-II linker of TRPML1 channel at pH 4.5 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5V56
 | | 2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | | Authors: | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | | Deposit date: | 2017-03-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
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5V57
 | | 3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | | Authors: | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | | Deposit date: | 2017-03-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
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2ATP
 | | Crystal structure of a CD8ab heterodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T-cell surface glycoprotein CD8 alpha chain, T-cell surface glycoprotein CD8 beta chain, ... | | Authors: | Chang, H.C, Tan, K, Ouyang, J, Parisini, E, Liu, J.H, Le, Y, Wang, X, Reinherz, E.L, Wang, J.H. | | Deposit date: | 2005-08-25 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Mutational Analyses of a CD8alphabeta Heterodimer and Comparison with the CD8alphaalpha Homodimer.
Immunity, 23, 2005
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1BRM
 | | ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE FROM ESCHERICHIA COLI | | Descriptor: | ASPARTATE-SEMIALDEHYDE DEHYDROGENASE | | Authors: | Hadfield, A.T, Kryger, G, Ouyang, J, Ringe, D, Petsko, G.A, Viola, R.E. | | Deposit date: | 1998-08-24 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of aspartate-beta-semialdehyde dehydrogenase from Escherichia coli, a key enzyme in the aspartate family of amino acid biosynthesis.
J.Mol.Biol., 289, 1999
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7CLD
 | | Crystal structure of T2R-TTL-Cevipabulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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7DP8
 | | Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-12-18 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.446 Å) | | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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6S35
 | | LSD1/CoREST1 complex with macrocyclic peptide inhibitor | | Descriptor: | ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Talibov, V.O, Dobritzsch, D. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
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7CE8
 | | Crystal structure of T2R-TTL-Compound11 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-22 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CDA
 | | Crystal structure of T2R-TTL-PAC complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CEK
 | | Crystal structure of T2R-TTL-BML-284 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-23 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CE6
 | | Crystal structure of T2R-TTL-Compound9 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-22 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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5JQG
 | | An apo tubulin-RB-TTL complex structure used for side-by-side comparison | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y.X, Naismith, J.H, Zhu, X. | | Deposit date: | 2016-05-04 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule
Nat Commun, 7, 2016
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5IFG
 | | Crystal structure of HigA-HigB complex from E. Coli | | Descriptor: | Antitoxin HigA, mRNA interferase HigB | | Authors: | Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H. | | Deposit date: | 2016-02-26 | | Release date: | 2017-03-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
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6JRX
 | | EGFR T790M/C797S in complex with compound 6i | | Descriptor: | Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2019-04-06 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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6JUU
 | | Crystal structure of ZAK in complex with compound 6r | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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6JUT
 | | Crystal structure of ZAK in complex with compound 6k | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2019-04-15 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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5FNV
 | | a new complex structure of tubulin with an alpha-beta unsaturated lactone | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, Y, Naismith, J, Zhu, X. | | Deposit date: | 2015-11-16 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
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6AH7
 | | D45W/H226G mutant of marine bacterial prolidase | | Descriptor: | MANGANESE (II) ION, SODIUM ION, SULFATE ION, ... | | Authors: | Jian, Y, Yunzhu, X, Lijuan, L. | | Deposit date: | 2018-08-17 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
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8Z9C
 | | Cryo-EM structure of NTR-bound type VII CRISPR-Cas complex at substrate-engaged state I | | Descriptor: | Protein structure, RNA (41-MER), RNA (48-MER), ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-04-23 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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8Z4L
 | | Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at substrate-engaged state I | | Descriptor: | RNA (40-MER), RNA (49-MER), ZINC ION, ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-04-17 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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8Z4J
 | | Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at substrate-engaged state II | | Descriptor: | Protein structure, RNA (34-MER), RNA (38-MER), ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-04-17 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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8Z9E
 | | Cryo-EM structure of NTR-bound type VII CRISPR-Cas complex at substrate-engaged state II | | Descriptor: | Protein structure, RNA (34-MER), RNA (39-MER), ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-04-23 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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8Z99
 | | Cryo-EM structure of NTR-bound type VII CRISPR-Cas complex at substrate-engaged state +I | | Descriptor: | RNA (49-MER), RNA (54-MER), ZINC ION, ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-04-22 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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8YHD
 | | Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at post-state I | | Descriptor: | RNA (35-MER), RNA (53-MER), ZINC ION, ... | | Authors: | Zhang, H, Deng, Z, Li, X. | | Deposit date: | 2024-02-28 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
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