4JBJ
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![BU of 4jbj by Molmil](/molmil-images/mine/4jbj) | Structural mimicry for functional antagonism | Descriptor: | Interferon-activable protein 202 | Authors: | Ru, H, Ni, X, Ma, F, Zhao, L, Ding, W, Hung, L.-W, Shaw, N, Cheng, G, Liu, Z.-J. | Deposit date: | 2013-02-19 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Structural basis for termination of AIM2-mediated signaling by p202 Cell Res., 23, 2013
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7VUX
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![BU of 7vux by Molmil](/molmil-images/mine/7vux) | Complex structure of PD1 and 609A-Fab | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X. | Deposit date: | 2021-11-04 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties. Mabs, 14, 2022
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8FEH
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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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7EVM
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![BU of 7evm by Molmil](/molmil-images/mine/7evm) | 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: | 2021-05-21 | Release date: | 2021-08-11 | 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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7XH0
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![BU of 7xh0 by Molmil](/molmil-images/mine/7xh0) | crystal structure of Csn-PD from Paenibacillus dendritiformis | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase | Authors: | Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L. | Deposit date: | 2022-04-07 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | crystal structure of Csn-PD from Paenibacillus dendritiformis To Be Published
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7X3O
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![BU of 7x3o by Molmil](/molmil-images/mine/7x3o) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3M
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7WQR
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![BU of 7wqr by Molmil](/molmil-images/mine/7wqr) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQS
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![BU of 7wqs by Molmil](/molmil-images/mine/7wqs) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-26 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WOT
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![BU of 7wot by Molmil](/molmil-images/mine/7wot) | Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex | Descriptor: | Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ... | Authors: | Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F. | Deposit date: | 2022-01-22 | Release date: | 2022-04-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex. Cell Res., 32, 2022
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7WOO
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![BU of 7woo by Molmil](/molmil-images/mine/7woo) | Cryo-EM structure of the inner ring protomer of the Saccharomyces cerevisiae nuclear pore complex | Descriptor: | Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ... | Authors: | Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F. | Deposit date: | 2022-01-22 | Release date: | 2022-04-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex. Cell Res., 32, 2022
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4QR5
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![BU of 4qr5 by Molmil](/molmil-images/mine/4qr5) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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4QR3
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![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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4QR4
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![BU of 4qr4 by Molmil](/molmil-images/mine/4qr4) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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3PA4
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![BU of 3pa4 by Molmil](/molmil-images/mine/3pa4) | X-ray crystal structure of compound 2a bound to human CHK1 kinase domain | Descriptor: | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2010-10-18 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3PA5
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![BU of 3pa5 by Molmil](/molmil-images/mine/3pa5) | X-ray crystal structure of compound 1 bound to human CHK1 kinase domain | Descriptor: | 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2010-10-18 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3PA3
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![BU of 3pa3 by Molmil](/molmil-images/mine/3pa3) | X-ray crystal structure of compound 70 bound to human CHK1 kinase domain | Descriptor: | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2010-10-18 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4DU0
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![BU of 4du0 by Molmil](/molmil-images/mine/4du0) | Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant) | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 1 | Authors: | Wu, X, Lu, W, Pazgier, M. | Deposit date: | 2012-02-21 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1 J.Biol.Chem., 287, 2012
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8WSS
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![BU of 8wss by Molmil](/molmil-images/mine/8wss) | Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors. Cell Discov, 10, 2024
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8WST
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![BU of 8wst by Molmil](/molmil-images/mine/8wst) | Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha-1, ... | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors. Cell Discov, 10, 2024
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4LB1
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![BU of 4lb1 by Molmil](/molmil-images/mine/4lb1) | |