7VSI
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![BU of 7vsi by Molmil](/molmil-images/mine/7vsi) | Structure of human SGLT2-MAP17 complex bound with empagliflozin | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ... | Authors: | Chen, L, Niu, Y, Liu, R. | Deposit date: | 2021-10-26 | Release date: | 2021-12-15 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter. Nature, 601, 2022
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7VOH
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![BU of 7voh by Molmil](/molmil-images/mine/7voh) | The a-glucosidase QsGH13 from Qipengyuania seohaensis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-glucosidase QsGH13 | Authors: | Huang, J, Zhai, X.Y. | Deposit date: | 2021-10-13 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Structure and Function Insight of the alpha-Glucosidase QsGH13 From Qipengyuania seohaensis sp. SW-135. Front Microbiol, 13, 2022
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7VH0
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![BU of 7vh0 by Molmil](/molmil-images/mine/7vh0) | MT2-remalteon-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, Melatonin receptor type 1B, ... | Authors: | Wang, Q.G, Lu, Q.Y. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors. Nat Commun, 13, 2022
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7VGY
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![BU of 7vgy by Molmil](/molmil-images/mine/7vgy) | Melatonin receptor1-2-Iodomelatonin-Gicomplex | Descriptor: | CHOLESTEROL, 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, ... | Authors: | Wang, Q.G, Lu, Q.Y. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors. Nat Commun, 13, 2022
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7VVT
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![BU of 7vvt by Molmil](/molmil-images/mine/7vvt) | SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor | Descriptor: | 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide | Authors: | Su, H, Nie, T, Li, M, Xu, Y. | Deposit date: | 2021-11-08 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease. Eur.J.Med.Chem., 231, 2022
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7VGZ
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![BU of 7vgz by Molmil](/molmil-images/mine/7vgz) | MT1-remalteon-Gi complex | Descriptor: | CHOLESTEROL, 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, ... | Authors: | Wang, Q.G, Lu, Q.Y. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors. Nat Commun, 13, 2022
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7VUE
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![BU of 7vue by Molmil](/molmil-images/mine/7vue) | Structural insight of the molecular mechanism of cilofexor bound to FXR | Descriptor: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Jiang, L, Chen, Y.C. | Deposit date: | 2021-11-02 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor. Biochem.Biophys.Res.Commun., 595, 2022
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7VGC
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7VGB
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![BU of 7vgb by Molmil](/molmil-images/mine/7vgb) | Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, P, Jiang, Z.Q. | Deposit date: | 2021-09-15 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms. Acta Crystallogr D Struct Biol, 78, 2022
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7VQS
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![BU of 7vqs by Molmil](/molmil-images/mine/7vqs) | Crystal structure of LSD1 in complex with compound 4 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQT
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![BU of 7vqt by Molmil](/molmil-images/mine/7vqt) | Crystal structure of LSD1 in complex with compound 5 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQU
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![BU of 7vqu by Molmil](/molmil-images/mine/7vqu) | Crystal structure of LSD1 in complex with compound S1427 | Descriptor: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | Deposit date: | 2021-10-20 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VPR
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7VPU
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![BU of 7vpu by Molmil](/molmil-images/mine/7vpu) | |
7VPS
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![BU of 7vps by Molmil](/molmil-images/mine/7vps) | |
7VPT
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![BU of 7vpt by Molmil](/molmil-images/mine/7vpt) | |
7VMH
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![BU of 7vmh by Molmil](/molmil-images/mine/7vmh) | |
7VMI
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![BU of 7vmi by Molmil](/molmil-images/mine/7vmi) | |
7VRR
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![BU of 7vrr by Molmil](/molmil-images/mine/7vrr) | |
7VXX
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![BU of 7vxx by Molmil](/molmil-images/mine/7vxx) | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | Descriptor: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7VMF
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7VXY
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![BU of 7vxy by Molmil](/molmil-images/mine/7vxy) | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7VKH
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7VKG
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![BU of 7vkg by Molmil](/molmil-images/mine/7vkg) | |
7VM4
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![BU of 7vm4 by Molmil](/molmil-images/mine/7vm4) | Crystal structure of uPA in complex with nafamostat | Descriptor: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | Authors: | Jiang, L.G, Huang, M.D. | Deposit date: | 2021-10-07 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat. Biophys.J., 121, 2022
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