6TQG
 
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | | Deposit date: | 2019-12-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
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4QXE
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6V8Z
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6V8X
 | | VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Henderson, R, Acharya, P. | | Deposit date: | 2019-12-12 | | Release date: | 2020-02-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
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2Y2Y
 | | Oxidised form of E. coli CsgC | | Descriptor: | ACETATE ION, CURLI PRODUCTION PROTEIN CSGC | | Authors: | Taylor, J.D, Salgado, P.S, Constable, S.C, Cota, E, Mathews, S.J. | | Deposit date: | 2010-12-16 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic Resolution Insights Into Curli Fiber Biogenesis.
Structure, 19, 2011
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2Y2T
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3ATK
 | | Crystal structure of trypsin complexed with cycloheptanamine | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATI
 | | Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATM
 | | Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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6JIX
 | | The cyrstal structure of taurine:2-oxoglutarate aminotransferase from Bifidobacterium kashiwanohense, in complex with PLP and glutamate | | Descriptor: | GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE, taurine:2-oxoglutarate aminotransferase | | Authors: | Li, M, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-02-23 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.647 Å) | | Cite: | Biochemical and structural investigation of taurine:2-oxoglutarate aminotransferase fromBifidobacterium kashiwanohense.
Biochem.J., 476, 2019
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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6VTU
 | | DH717.1 Fab monomer in complex with man9 glycan | | Descriptor: | DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ... | | Authors: | Fera, D, Bronkema, N. | | Deposit date: | 2020-02-13 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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6KI0
 | | Crystal Structure of Human ASC-CARD | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Xu, Z.H, Jin, T.C. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
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6W7F
 | | Structure of EED bound to inhibitor 5285 | | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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6W7G
 | | Structure of EED bound to inhibitor 1056 | | Descriptor: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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3L0I
 | | Complex structure of SidM/DrrA with the wild type Rab1 | | Descriptor: | CHLORIDE ION, DrrA, Ras-related protein Rab-1A, ... | | Authors: | Zhu, Y, Shao, F. | | Deposit date: | 2009-12-10 | | Release date: | 2009-12-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural mechanism of host Rab1 activation by the bifunctional Legionella type IV effector SidM/DrrA
Proc.Natl.Acad.Sci.USA, 107, 2010
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3L0M
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3X3M
 | | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121 | | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | | Deposit date: | 2015-01-24 | | Release date: | 2015-12-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
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3X3N
 | | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 | | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | | Deposit date: | 2015-01-24 | | Release date: | 2015-12-09 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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6XRJ
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6JLC
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6JM8
 | | Crystal structure of Ostrinia furnacalis Group IV chitinase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ofchtiv-g5 | | Authors: | Liu, T, Yang, Q. | | Deposit date: | 2019-03-07 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Structure and property of group IV insect chitinase, a potential drug target and biopesticide
Insect Biochem.Mol.Biol., 119, 2020
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6JM7
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