6I66
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6I62
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![BU of 6i62 by Molmil](/molmil-images/mine/6i62) | Crystal structure of human ERRg LBD in complex with HPTE | Descriptor: | 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen-related receptor gamma | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6JAW
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![BU of 6jaw by Molmil](/molmil-images/mine/6jaw) | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a napthalimide derivative | Descriptor: | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Group II chitinase | Authors: | Chen, W, Zhou, Y, Yang, Q. | Deposit date: | 2019-01-25 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition. J.Biol.Chem., 294, 2019
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6JE9
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![BU of 6je9 by Molmil](/molmil-images/mine/6je9) | Crystal structure of Nme1Cas9-sgRNA dimer mediated by double protein inhibitor AcrIIC3 monomers | Descriptor: | AcrIIC3, CRISPR-associated endonuclease Cas9, sgRNA | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-04 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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6J44
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![BU of 6j44 by Molmil](/molmil-images/mine/6j44) | Crystal structure of the redefined DNA-binding domain of human XPA | Descriptor: | DNA repair protein complementing XP-A cells, ZINC ION | Authors: | Lian, F.M, Yang, X, Yang, W, Jiang, Y.L, Qian, C. | Deposit date: | 2019-01-07 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural characterization of the redefined DNA-binding domain of human XPA. Biochem.Biophys.Res.Commun., 514, 2019
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6J57
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![BU of 6j57 by Molmil](/molmil-images/mine/6j57) | Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Predicted 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase, ... | Authors: | Hong, H, Seo, H, Kim, K.-J, Park, W. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies. Environ.Microbiol., 22, 2020
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6JAV
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![BU of 6jav by Molmil](/molmil-images/mine/6jav) | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a piperidine-thienopyridine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, Group II chitinase | Authors: | Chen, W, Zhou, Y, Yang, Q. | Deposit date: | 2019-01-25 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.437 Å) | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition. J.Biol.Chem., 294, 2019
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6L29
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![BU of 6l29 by Molmil](/molmil-images/mine/6l29) | The structure of the MazF-mt1 mutant | Descriptor: | mRNA interferase | Authors: | Xie, W, Chen, R, Zhou, J. | Deposit date: | 2019-10-02 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3000052 Å) | Cite: | Conserved Conformational Changes in the Regulation ofMycobacterium tuberculosisMazEF-mt1. Acs Infect Dis., 6, 2020
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6L16
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![BU of 6l16 by Molmil](/molmil-images/mine/6l16) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6KQI
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![BU of 6kqi by Molmil](/molmil-images/mine/6kqi) | Structure of an allosteric modulator bound to the CB1 cannabinoid receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide, ... | Authors: | Shao, Z.H, Yan, W. | Deposit date: | 2019-08-17 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.245 Å) | Cite: | Structure of an allosteric modulator bound to the CB1 cannabinoid receptor. Nat.Chem.Biol., 15, 2019
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6KWQ
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6LAE
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![BU of 6lae by Molmil](/molmil-images/mine/6lae) | Crystal structure of the DNA-binding domain of human XPA in complex with DNA | Descriptor: | DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ... | Authors: | Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C. | Deposit date: | 2019-11-12 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA. Int.J.Biol.Macromol., 148, 2020
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6KZ7
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![BU of 6kz7 by Molmil](/molmil-images/mine/6kz7) | The crystal structure of BAF155 SWIRM domain and N-terminal elongated hSNF5 RPT1 domain complex: Chromatin remodeling complex | Descriptor: | SWI/SNF complex subunit SMARCC1, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | Authors: | Lee, W, Han, J, Kim, I, Park, J.H, Joo, K, Lee, J, Suh, J.Y. | Deposit date: | 2019-09-23 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction. Int J Mol Sci, 21, 2020
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6L0Z
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![BU of 6l0z by Molmil](/molmil-images/mine/6l0z) | The crystal structure of Salmonella enterica sugar-binding protein MalE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-anhydro-D-glucitol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y. | Deposit date: | 2019-09-27 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Salmonella enterica sugar-binding protein MalE To Be Published
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6KYT
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![BU of 6kyt by Molmil](/molmil-images/mine/6kyt) | The structure of the M. tb toxin MazEF-mt1 complex | Descriptor: | Antitoxin MazE9, Endoribonuclease MazF9 | Authors: | Xie, W, Chen, R, Zhou, J. | Deposit date: | 2019-09-20 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.00101161 Å) | Cite: | Conserved Conformational Changes in the Regulation ofMycobacterium tuberculosisMazEF-mt1. Acs Infect Dis., 6, 2020
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6L17
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![BU of 6l17 by Molmil](/molmil-images/mine/6l17) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-09-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L11
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![BU of 6l11 by Molmil](/molmil-images/mine/6l11) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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7DUQ
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![BU of 7duq by Molmil](/molmil-images/mine/7duq) | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7DUR
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![BU of 7dur by Molmil](/molmil-images/mine/7dur) | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7V6F
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![BU of 7v6f by Molmil](/molmil-images/mine/7v6f) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7EHW
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![BU of 7ehw by Molmil](/molmil-images/mine/7ehw) | BRD4-BD1 in complex with LT-642-602 | Descriptor: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-30 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | BRD4-BD1 in complex with LT-642-602 To Be Published
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2MHU
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![BU of 2mhu by Molmil](/molmil-images/mine/2mhu) | THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | Authors: | Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | Deposit date: | 1990-05-14 | Release date: | 1991-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy. J.Mol.Biol., 214, 1990
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7EHY
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![BU of 7ehy by Molmil](/molmil-images/mine/7ehy) | BRD4-BD1 in complex with LT-448-138 | Descriptor: | 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-30 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | BRD4-BD1 in complex with LT-642-602 To Be Published
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7EIG
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![BU of 7eig by Molmil](/molmil-images/mine/7eig) | BRD4-BD1 in complex with LT-730-903 | Descriptor: | 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | BRD4-BD1 in complex with LT-730-903 To Be Published
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7EIK
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![BU of 7eik by Molmil](/molmil-images/mine/7eik) | RD4-BD1 in complex with LT-872-297 | Descriptor: | 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RD4-BD1 in complex with LT-872-297 To Be Published
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