3SGX
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7XYD
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![BU of 7xyd by Molmil](/molmil-images/mine/7xyd) | Crystal structure of TMPRSS2 in complex with Nafamostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-01 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0F
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![BU of 7y0f by Molmil](/molmil-images/mine/7y0f) | Crystal structure of TMPRSS2 in complex with UK-371804 | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0E
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![BU of 7y0e by Molmil](/molmil-images/mine/7y0e) | Crystal structure of TMPRSS2 in complex with Camostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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3S29
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2FXD
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![BU of 2fxd by Molmil](/molmil-images/mine/2fxd) | X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632) | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Klei, H.E, Sheriff, S. | Deposit date: | 2006-02-04 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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3SGT
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3S35
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![BU of 3s35 by Molmil](/molmil-images/mine/3s35) | Structural basis for the function of two anti-VEGF receptor antibodies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6.64 Fab heavy chain, ... | Authors: | Franklin, M.C. | Deposit date: | 2011-05-17 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies. Structure, 19, 2011
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2FXE
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![BU of 2fxe by Molmil](/molmil-images/mine/2fxe) | X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632) | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Sheriff, S, Klei, H.E. | Deposit date: | 2006-02-05 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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7VNI
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![BU of 7vni by Molmil](/molmil-images/mine/7vni) | AHR-ARNT PAS-B heterodimer | Descriptor: | Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION | Authors: | Dai, S.Y. | Deposit date: | 2021-10-11 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor. Nat Commun, 13, 2022
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7VNA
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![BU of 7vna by Molmil](/molmil-images/mine/7vna) | drosophlia AHR PAS-B domain | Descriptor: | Ahr homolog spineless | Authors: | Dai, S.Y. | Deposit date: | 2021-10-10 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor. Nat Commun, 13, 2022
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7VNH
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6LT7
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3VF7
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![BU of 3vf7 by Molmil](/molmil-images/mine/3vf7) | Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031 | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
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7W26
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![BU of 7w26 by Molmil](/molmil-images/mine/7w26) | monolignol ferulate transferase | Descriptor: | Ferulate monolignol transferase | Authors: | Xi, L, Shuliu, D, Yue, F, Yi, Z. | Deposit date: | 2021-11-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates. Biochem.Biophys.Res.Commun., 594, 2022
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7BTA
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![BU of 7bta by Molmil](/molmil-images/mine/7bta) | Crystal structure of Rheb D60K mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-03-31 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
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7BTC
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![BU of 7btc by Molmil](/molmil-images/mine/7btc) | Crystal structure of Rheb Y35N mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
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3VFA
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![BU of 3vfa by Molmil](/molmil-images/mine/3vfa) | Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031 | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ... | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
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6MAB
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![BU of 6mab by Molmil](/molmil-images/mine/6mab) | 1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain) | Descriptor: | ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase | Authors: | Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S. | Deposit date: | 2018-08-27 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation. Mol.Microbiol., 113, 2020
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2G3T
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6IYV
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![BU of 6iyv by Molmil](/molmil-images/mine/6iyv) | Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem adduct | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhao, F, Li, D.F, Wang, D.C. | Deposit date: | 2018-12-17 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2for ertapenem than for imipenem. Biochem. Biophys. Res. Commun., 510, 2019
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7VM0
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![BU of 7vm0 by Molmil](/molmil-images/mine/7vm0) | Crystal structure of YojK from B.subtilis in complex with UDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glycosyl transferase family 1, ... | Authors: | Hou, X.D, Guo, B.D, Rao, Y.J. | Deposit date: | 2021-10-06 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly efficient production of rebaudioside D enabled by structure-guided engineering of bacterial glycosyltransferase YojK. Front Bioeng Biotechnol, 10, 2022
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7YNX
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![BU of 7ynx by Molmil](/molmil-images/mine/7ynx) | Crystal structure of Pirh2 bound to poly-Ala peptide | Descriptor: | RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ... | Authors: | Dong, C, Yan, X, Li, Y. | Deposit date: | 2022-08-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Recognition of an Ala-rich C-degron by the E3 ligase Pirh2. Nat Commun, 14, 2023
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7UFV
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![BU of 7ufv by Molmil](/molmil-images/mine/7ufv) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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2GQG
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![BU of 2gqg by Molmil](/molmil-images/mine/2gqg) | X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Klei, H.E. | Deposit date: | 2006-04-20 | Release date: | 2006-11-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain Elucidates Its Inhibitory Activity against Imatinib-Resistant ABL Mutants CANCER RES., 66, 2006
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