4N94
| E. coli sliding clamp in complex with 3,4-difluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4N9A
| E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid | Descriptor: | (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4OVG
| E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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5VPE
| Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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5VPA
| Transcription factor FosB/JunD bZIP domain | Descriptor: | CHLORIDE ION, Protein fosB, SODIUM ION, ... | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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5VPF
| Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-II crystal | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | Authors: | Yin, Z, Rudenko, G, Machius, M. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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8GSM
| Crystal Structure of VibMO1 | Descriptor: | 4-hydroxybenzoate decarboxylase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ying, Z, Feng, K.N. | Deposit date: | 2022-09-06 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Crystal Structure of VibMO1 To Be Published
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5BPE
| Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro | Authors: | Luqing, S, Yin, Z. | Deposit date: | 2015-05-28 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease J.Med.Chem., 58, 2015
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5U6I
| Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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7QSD
| Bovine complex I in the active state at 3.1 A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-03-02 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R41
| Bovine complex I in the presence of IM1761092, active class i (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R4D
| Bovine complex I in the presence of IM1761092, deactive class vi (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R42
| Bovine complex I in the presence of IM1761092, active class ii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R4G
| Bovine complex I in the presence of IM1761092, slack class ii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R44
| Bovine complex I in the presence of IM1761092, active class iv (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R45
| Bovine complex I in the presence of IM1761092, deactive class i (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R46
| Bovine complex I in the presence of IM1761092, deactive class ii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R43
| Bovine complex I in the presence of IM1761092, active class iii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R48
| Bovine complex I in the presence of IM1761092, deactive class iv (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R47
| Bovine complex I in the presence of IM1761092, deactive class iii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R4C
| Bovine complex I in the presence of IM1761092, deactive class v (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7R4F
| Bovine complex I in the presence of IM1761092, slack class i (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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5H1S
| Structure of the large subunit of the chloro-ribosome | Descriptor: | 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L17, ... | Authors: | Ahmed, T, Yin, Z, Bhushan, S. | Deposit date: | 2016-10-11 | Release date: | 2017-02-01 | Last modified: | 2018-06-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the large subunit of the spinach chloroplast ribosome. Sci Rep, 6, 2016
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4UYI
| Crystal structure of the BTB domain of human SLX4 (BTBD12) | Descriptor: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | Authors: | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-09-01 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12) To be Published
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7PSA
| The acetogenin-bound complex I of Mus musculus resolved to 3.4 angstroms | Descriptor: | (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | Authors: | Grba, D, Hirst, J. | Deposit date: | 2021-09-22 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-electron microscopy reveals how acetogenins inhibit mitochondrial respiratory complex I. J.Biol.Chem., 298, 2022
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