7KZT
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5TRF
| MDM2 in complex with SAR405838 | Descriptor: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2016-10-26 | Release date: | 2016-11-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression. Cancer Res., 74, 2014
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8TR3
| Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CNE40 SOSIP Envelope glycoprotein gp120, ... | Authors: | Chan, K.-W, Kong, X.P. | Deposit date: | 2023-08-09 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains. Nat Commun, 15, 2024
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1K33
| Crystal structure analysis of the gp41 core mutant | Descriptor: | Transmembrane glycoprotein GP41 | Authors: | Shu, W, Lu, M. | Deposit date: | 2001-10-01 | Release date: | 2001-10-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion. Biochemistry, 41, 2002
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6JD5
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J18
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J19
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ... | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J17
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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1K34
| Crystal structure analysis of gp41 core mutant | Descriptor: | Transmembrane glycoprotein GP41 | Authors: | Shu, W, Lu, M. | Deposit date: | 2001-10-01 | Release date: | 2001-10-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion. Biochemistry, 41, 2002
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6JD4
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6E08
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6E07
| Crystal structure of Canton G6PD in complex with structural NADP | Descriptor: | GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Rahighi, S, Mochly-Rosen, D, Wakatsuki, S. | Deposit date: | 2018-07-06 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator. Nat Commun, 9, 2018
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4FFS
| Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Helicobacter pylori with butyl-thio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, MTA/SAH nucleosidase | Authors: | Haapalainen, A.M, Rinaldo-Matthis, A, Brown, R.L, Norris, G.E, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-06-01 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Picomolar Transition State Analogue Inhibitor of MTAN as a Specific Antibiotic for Helicobacter pylori. Biochemistry, 51, 2012
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2G0C
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8I61
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I69
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I67
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6B
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I63
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I62
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I66
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I65
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6A
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III | Descriptor: | 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6C
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III | Descriptor: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6D
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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