6NZF
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3VFB
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![BU of 3vfb by Molmil](/molmil-images/mine/3vfb) | Crystal Structure of HIV-1 Protease Mutant N88D 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 (1.55 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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6N52
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![BU of 6n52 by Molmil](/molmil-images/mine/6n52) | Metabotropic Glutamate Receptor 5 Apo Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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6OJ1
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![BU of 6oj1 by Molmil](/molmil-images/mine/6oj1) | Crystal Structure of Aspergillus fumigatus Ega3 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L. | Deposit date: | 2019-04-10 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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8H3Z
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6OQ5
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![BU of 6oq5 by Molmil](/molmil-images/mine/6oq5) | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | Descriptor: | 5D, 7F, E3, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.87 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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6OJB
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![BU of 6ojb by Molmil](/molmil-images/mine/6ojb) | Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Bamford, N.C, Howell, P.L. | Deposit date: | 2019-04-11 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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6OQ6
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6K8J
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![BU of 6k8j by Molmil](/molmil-images/mine/6k8j) | Structure of NLRC4 CARD filament | Descriptor: | NLR family CARD domain-containing protein 4 | Authors: | Gong, Q, Xu, C, Zhang, J, Boo, Z.Z, Wu, B. | Deposit date: | 2019-06-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for distinct inflammasome complex assembly by human NLRP1 and CARD8. Nat Commun, 12, 2021
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6K99
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![BU of 6k99 by Molmil](/molmil-images/mine/6k99) | Structure of ASC CARD filament | Descriptor: | Apoptosis-associated speck-like protein containing a CARD | Authors: | Gong, Q, Xu, C, Zhang, J, Boo, Z.Z, Wu, B. | Deposit date: | 2019-06-14 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for distinct inflammasome complex assembly by human NLRP1 and CARD8. Nat Commun, 12, 2021
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3VF5
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![BU of 3vf5 by Molmil](/molmil-images/mine/3vf5) | Crystal Structure of HIV-1 Protease Mutant I47V 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, ACETATE ION, CHLORIDE 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 (1.25 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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3WSQ
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![BU of 3wsq by Molmil](/molmil-images/mine/3wsq) | Structure of HER2 with an Fab | Descriptor: | Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2 | Authors: | Fu, W.Y, Wang, Y.X, Zhou, L.J. | Deposit date: | 2014-03-20 | Release date: | 2015-03-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies. MAbs, 6, 2014
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2O7N
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![BU of 2o7n by Molmil](/molmil-images/mine/2o7n) | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | Authors: | Sheriff, S. | Deposit date: | 2006-12-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17, 2007
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3WYI
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![BU of 3wyi by Molmil](/molmil-images/mine/3wyi) | Structure of S. aureus undecaprenyl diphosphate synthase | Descriptor: | Isoprenyl transferase, MAGNESIUM ION | Authors: | Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-08-29 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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3WYJ
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![BU of 3wyj by Molmil](/molmil-images/mine/3wyj) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-789 | Descriptor: | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid | Authors: | Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-08-29 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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2LKM
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5TKY
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![BU of 5tky by Molmil](/molmil-images/mine/5tky) | Crystal structure of the co-translational Hsp70 chaperone Ssb in the ATP-bound, open conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | Authors: | Gumiero, A, Gese, G.V, Weyer, F.A, Lapouge, K, Sinning, I. | Deposit date: | 2016-10-10 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain. Nat Commun, 7, 2016
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5T8O
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![BU of 5t8o by Molmil](/molmil-images/mine/5t8o) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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5T8P
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![BU of 5t8p by Molmil](/molmil-images/mine/5t8p) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | Descriptor: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P.A. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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8U8Q
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![BU of 8u8q by Molmil](/molmil-images/mine/8u8q) | V290N/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8P
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![BU of 8u8p by Molmil](/molmil-images/mine/8u8p) | S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8R
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![BU of 8u8r by Molmil](/molmil-images/mine/8u8r) | Y229F/V290N/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8S
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![BU of 8u8s by Molmil](/molmil-images/mine/8u8s) | Y229F/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8T
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![BU of 8u8t by Molmil](/molmil-images/mine/8u8t) | Y229F/V290N Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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5TRC
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![BU of 5trc by Molmil](/molmil-images/mine/5trc) | |