7UQ3
 
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid | | Descriptor: | Bifunctional peptidase and arginyl-hydroxylase JMJD5, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2022-04-19 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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5LRZ
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501 | | Descriptor: | 6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-22 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
To Be Published
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7UXO
 | | Structure of PDL1 in complex with FP30790, a Helicon Polypeptide | | Descriptor: | AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5FAT
 | | OXA-48 in complex with FPI-1602 | | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-12 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5LS3
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7UYH
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6NNS
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5XBH
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6NOR
 | | Crystal structure of GenD2 from gentamicin A biosynthesis in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD dependent dehydrogenase | | Authors: | Araujo, N.C, Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | | Deposit date: | 2019-01-16 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Crystal Structure of GenD2, an NAD-Dependent Oxidoreductase Involved in the Biosynthesis of Gentamicin.
Acs Chem.Biol., 14, 2019
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8PWM
 | | Crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 3b | | Descriptor: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ... | | Authors: | Rochel, N. | | Deposit date: | 2023-07-20 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Des-C-Ring and Aromatic-D-Ring analogs Acting as Potent Agonists of the Vitamin D Receptor (VDR)
To Be Published
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7UWO
 | | Structure of beta-catenin in complex with FP05874, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, Helicon Polypeptide FP05874, N,N'-(1,4-phenylene)diacetamide | | Authors: | Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Hriniak, B, Verdine, G, McGee, J. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5FVS
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl) ethyl)pyridin-2-amine | | Descriptor: | 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-02-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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8PRU
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7UXQ
 | | Structure of PDL1 in complex with FP28135, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6NPX
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5M2O
 | | R. flavefaciens' third ScaB cohesin in complex with a group 1 dockerin | | Descriptor: | CALCIUM ION, Group I Dockerin, Putative cellulosomal scaffoldin protein | | Authors: | Bule, P, Najmudin, S, Carvalho, A.L, Fontes, C.M.G.A. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Assembly of Ruminococcus flavefaciens cellulosome revealed by structures of two cohesin-dockerin complexes.
Sci Rep, 7, 2017
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6NQ7
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7UXP
 | | Structure of PDL1 in complex with FP28132, a Helicon Polypeptide | | Descriptor: | AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6NQG
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5XL0
 | | met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
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7UX5
 | | Structure of PDL1 in complex with FP28136, a Helicon Polypeptide | | Descriptor: | Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1 | | Authors: | Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5J4V
 | | The crystal structure of Inhibitor Bound to JCV Helicase | | Descriptor: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2016-04-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
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5XDB
 | | Crystal structure of FMN-bound TdsC from Paenibacillus sp. A11-2 | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ... | | Authors: | Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S. | | Deposit date: | 2017-03-28 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
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7UXI
 | | Structure of CDK2 in complex with FP19711, a Helicon Polypeptide | | Descriptor: | AMINO GROUP, Cyclin-dependent kinase 2, FP19711, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UXM
 | | Structure of PPIA in complex with FP29092, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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