7RV4
 
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2SGE
 | | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
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2RU0
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7RVF
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5IG6
 | | Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3 | | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, Bromodomain-containing protein 2, CHLORIDE ION, ... | | Authors: | Tripathi, S.K, Padmanabhan, B. | | Deposit date: | 2016-02-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
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7RVK
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2RQ2
 | | The solution structure of the N-terminal fragment of big defensin | | Descriptor: | Big defensin | | Authors: | Kouno, T, Mizuguchi, M, Aizawa, T, Shinoda, H, Demura, M, Kawabata, S, Kawano, K. | | Deposit date: | 2009-01-07 | | Release date: | 2009-08-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A novel beta-defensin structure: big defensin changes its N-terminal structure to associate with the target membrane
Biochemistry, 48, 2009
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7RWP
 | | Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | | Descriptor: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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5IID
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2016-03-01 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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7RWQ
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | | Descriptor: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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2GNI
 | | PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077) | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GOH
 | | Three-dimensional Structure of the Trans-membrane Domain of Vpu from HIV-1 in Aligned Phospholipid Bicelles | | Descriptor: | VPU protein | | Authors: | Park, S.H, De Angelis, A.A, Nevzorov, A.A, Wu, C.H, Opella, S.J. | | Deposit date: | 2006-04-12 | | Release date: | 2006-08-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Structure of the Transmembrane Domain of Vpu from HIV-1 in Aligned Phospholipid Bicelles.
Biophys.J., 91, 2006
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2GOV
 | | Solution structure of Murine p22HBP | | Descriptor: | Heme-binding protein 1 | | Authors: | Volkman, B.F, Dias, J.S, Goodfellow, B.J, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-04-14 | | Release date: | 2006-05-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The First Structure from the SOUL/HBP Family of Heme-binding Proteins, Murine P22HBP.
J.Biol.Chem., 281, 2006
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7RVJ
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7SFM
 | | Mycobacterium tuberculosis Hip1 crystal structure | | Descriptor: | ACETATE ION, GLYCEROL, Hip1 | | Authors: | Ostrov, D.A, Li, D. | | Deposit date: | 2021-10-04 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
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7RXO
 | | Crystal structure of CDK2 liganded with compound WN333 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
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5IKY
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7RWO
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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2REC
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5ILA
 | | Deg9 protease domain | | Descriptor: | Protease Do-like 9 | | Authors: | Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
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2RES
 | | Tetracenomycin ARO/CYC mutant R69A | | Descriptor: | Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN | | Authors: | Ames, B.D, Tsai, S.C. | | Deposit date: | 2007-09-26 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5I2G
 | | 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | | Descriptor: | Diol dehydratase, S-1,2-PROPANEDIOL | | Authors: | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
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7DLZ
 | | Crystal Structure of Methyltransferase Ribozyme | | Descriptor: | RNA (45-MER), U1 small nuclear ribonucleoprotein A | | Authors: | Gan, J.H, Gao, Y.Q, Jiang, H.Y, Chen, D.R, Murchie, A.I.H. | | Deposit date: | 2020-11-30 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences
Nat Catal, 4, 2021
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2RFV
 | | High resolution structure of L-methionine gamma-lyase from Citrobacter freundii | | Descriptor: | CHLORIDE ION, Methionine gamma-lyase | | Authors: | Nikulin, A.D, Revtovich, S.V, Morozova, E.A, Nevskaya, N.A, Nikonov, S.V, Garber, M.B, Demidkina, T.V. | | Deposit date: | 2007-10-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.355 Å) | | Cite: | High-resolution structure of methionine gamma-lyase from Citrobacter freundii.
Acta Crystallogr.,Sect.D, 64, 2008
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2RK6
 | | Structure of E163K DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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