5TYT
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![BU of 5tyt by Molmil](/molmil-images/mine/5tyt) | Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | Descriptor: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | Authors: | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | Deposit date: | 2016-11-21 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF. Biochem. Biophys. Res. Commun., 485, 2017
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5U2J
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5G0W
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![BU of 5g0w by Molmil](/molmil-images/mine/5g0w) | InhA in complex with a DNA encoded library hit | Descriptor: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5WLE
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![BU of 5wle by Molmil](/molmil-images/mine/5wle) | |
5WLF
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![BU of 5wlf by Molmil](/molmil-images/mine/5wlf) | |
5TDR
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![BU of 5tdr by Molmil](/molmil-images/mine/5tdr) | Set3 PHD finger in complex with histone H3K4me2 | Descriptor: | Histone H3, SET domain-containing protein 3, SODIUM ION, ... | Authors: | Andrews, F.H, Ali, M, Kutateladze, T.G. | Deposit date: | 2016-09-19 | Release date: | 2016-11-02 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural Insight into Recognition of Methylated Histone H3K4 by Set3. J. Mol. Biol., 429, 2017
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6KFP
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![BU of 6kfp by Molmil](/molmil-images/mine/6kfp) | Crystal structure of MavC ternary complex | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | Deposit date: | 2019-07-08 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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5US4
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![BU of 5us4 by Molmil](/molmil-images/mine/5us4) | Crystal structure of human KRAS G12D mutant in complex with GDP | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-13 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
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6KG6
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![BU of 6kg6 by Molmil](/molmil-images/mine/6kg6) | Crystal structure of MavC/UBE2N-Ub complex | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | Authors: | Wang, Y, Huang, Y, Chang, M, Feng, Y. | Deposit date: | 2019-07-10 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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5I5K
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![BU of 5i5k by Molmil](/molmil-images/mine/5i5k) | |
7Y77
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![BU of 7y77 by Molmil](/molmil-images/mine/7y77) | Crystal structure of rice NAL1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1 | Authors: | Yan, J.J, Guan, Z.Y, Yin, P, Xiong, L.Z. | Deposit date: | 2022-06-21 | Release date: | 2023-07-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Serine protease NAL1 exerts pleiotropic functions through degradation of TOPLESS-related corepressor in rice. Nat.Plants, 9, 2023
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5USJ
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![BU of 5usj by Molmil](/molmil-images/mine/5usj) | Crystal Structure of human KRAS G12D mutant in complex with GDPNP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-13 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
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7DTL
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![BU of 7dtl by Molmil](/molmil-images/mine/7dtl) | Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala | Descriptor: | PSK | Authors: | Xiao, C, Xiao, Z, Wang, S, Liu, W. | Deposit date: | 2021-01-05 | Release date: | 2021-07-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala. Acta Crystallogr D Struct Biol, 77, 2021
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7VKA
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![BU of 7vka by Molmil](/molmil-images/mine/7vka) | Crystal Structure of GH3.6 in complex with an inhibitor | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ... | Authors: | Wang, N, Luo, M, Bao, H, Huang, H. | Deposit date: | 2021-09-29 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7E0F
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7E20
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![BU of 7e20 by Molmil](/molmil-images/mine/7e20) | Cryo EM structure of a K+-bound Na+,K+-ATPase in the E2 state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | Deposit date: | 2021-02-04 | Release date: | 2022-06-15 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states. Nat Commun, 13, 2022
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7E21
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![BU of 7e21 by Molmil](/molmil-images/mine/7e21) | Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state with ATP-gamma-S | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | Deposit date: | 2021-02-04 | Release date: | 2022-06-15 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states. Nat Commun, 13, 2022
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7E1Z
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![BU of 7e1z by Molmil](/molmil-images/mine/7e1z) | Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q. | Deposit date: | 2021-02-04 | Release date: | 2022-06-15 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states. Nat Commun, 13, 2022
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7X83
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![BU of 7x83 by Molmil](/molmil-images/mine/7x83) | Cryo-EM structure of the TMEM106B fibril from normal elder | Descriptor: | Transmembrane protein 106B | Authors: | Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C. | Deposit date: | 2022-03-11 | Release date: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders. Cell Res., 32, 2022
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7X84
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![BU of 7x84 by Molmil](/molmil-images/mine/7x84) | Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia | Descriptor: | Transmembrane protein 106B | Authors: | Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C. | Deposit date: | 2022-03-11 | Release date: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders. Cell Res., 32, 2022
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7FAJ
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![BU of 7faj by Molmil](/molmil-images/mine/7faj) | CARM1 bound with compound 43 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2450726 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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7FAI
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![BU of 7fai by Molmil](/molmil-images/mine/7fai) | CARM1 bound with compound 9 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09749269 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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8WPU
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![BU of 8wpu by Molmil](/molmil-images/mine/8wpu) | Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | Deposit date: | 2023-10-10 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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8WPG
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![BU of 8wpg by Molmil](/molmil-images/mine/8wpg) | Human calcium-sensing receptor bound with cinacalcet in detergent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | Deposit date: | 2023-10-10 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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