7EFX
 
 | | Crystal Structure of human PIN1 complexed with covalent inhibitor | | Descriptor: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J, Zhu, R, Pei, Y. | | Deposit date: | 2021-03-23 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EKV
 | | Crystal Structure of human Pin1 complexed with a covalent inhibitor | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EFJ
 | | Crystal Structure Analysis of human PIN1 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-03-21 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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6BPR
 | | Crystal structure of cysteine, nitric oxide-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
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4DZY
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP | | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-03-01 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6JI3
 | | BRD4-BD1 bound with ligand 103 | | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | Deposit date: | 2019-02-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | brd4-bd1 bound with ligand 103
To Be Published
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6JI4
 | | brd4-bd1 bound with ligand 138 | | Descriptor: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | Deposit date: | 2019-02-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | brd4-bd1 bound with ligand 138
To Be Published
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6JI5
 | | brd4-bd1 bound with ligand 167 | | Descriptor: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | Deposit date: | 2019-02-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | brd4-bd1 bound with ligand 167
To Be Published
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4J0U
 | | Crystal structure of IFIT5/ISG58 | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5 | | Authors: | Liu, Y, Liang, H, Feng, F, Yuan, L, Wang, Y.E, Crowley, C, Lv, Z, Li, J, Zeng, S, Cheng, G. | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Crystal Structure of IFIT5
To be Published
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7WWS
 | | Structure of a triple-helix region of human collagen type III from Trautec | | Descriptor: | Collagen alpha-1(III) chain | | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | | Deposit date: | 2022-02-14 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
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7WWR
 | | Structure of a triple-helix region of human collagen type III from Trautec | | Descriptor: | Collagen alpha-1(III) chain | | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | | Deposit date: | 2022-02-14 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
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7XAN
 | | Structure of a triple-helix region of human collagen type III from Trautec | | Descriptor: | Collagen alpha-1(III) chain | | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | | Deposit date: | 2022-03-18 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
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7X8M
 | | NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex | | Descriptor: | BERBERINE, DNA (24-MER) | | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | | Deposit date: | 2022-03-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
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7X8O
 | | NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex | | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER) | | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | | Deposit date: | 2022-03-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
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7X8N
 | | NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4 | | Descriptor: | DNA (24-mer) | | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | | Deposit date: | 2022-03-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
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5Z9S
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6LTJ
 | | Structure of nucleosome-bound human BAF complex | | Descriptor: | AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ... | | Authors: | He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y. | | Deposit date: | 2020-01-22 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
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7BVG
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7VBF
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7VBE
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7VBD
 | | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0 | | Descriptor: | Nucleoprotein | | Authors: | Zeng, P, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-08-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0
To Be Published
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8IRW
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7C5F
 | | Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 1.88 Angstrom resolution | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | | Deposit date: | 2020-05-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Characterization and structure of glyceraldehyde-3-phosphate dehydrogenase type 1 from Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
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6K9L
 | | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | | Descriptor: | Serine-protein kinase ATM | | Authors: | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | | Deposit date: | 2019-06-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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8K4Y
 | | Structure of a triple-helix region of human ReCol 3 from Trautec | | Descriptor: | SULFATE ION, triple-helix region of human ReCol 3 | | Authors: | Chu, Y, Zhai, Y, Fan, X, Li, J, Wang, L, Fu, S, Feng, P, Qian, S. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a triple-helix region of human ReCol 3 from Trautec.
To Be Published
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