1ULP
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6UC4
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![BU of 6uc4 by Molmil](/molmil-images/mine/6uc4) | Barbed end side of a cofilactin cluster | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-09-13 | Release date: | 2020-01-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9.2 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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5LVQ
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![BU of 5lvq by Molmil](/molmil-images/mine/5lvq) | Crystal structure of human PCAF bromodomain in complex with compound-D (CPD-D), N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ... | Authors: | Chaikuad, A, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hopkins, A.L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-14 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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6UD6
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![BU of 6ud6 by Molmil](/molmil-images/mine/6ud6) | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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8G1Q
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![BU of 8g1q by Molmil](/molmil-images/mine/8g1q) | Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | Authors: | Ghimire Rijal, S, Wurz, R.P, Vaish, A. | Deposit date: | 2023-02-02 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
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1YKI
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![BU of 1yki by Molmil](/molmil-images/mine/1yki) | The structure of E. coli nitroreductase bound with the antibiotic nitrofurazone | Descriptor: | CITRIC ACID, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | Deposit date: | 2005-01-18 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme. J.Biol.Chem., 280, 2005
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5YYN
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![BU of 5yyn by Molmil](/molmil-images/mine/5yyn) | Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate TRNA(Arg) | Descriptor: | Arginine--tRNA ligase, TRNA | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X. | Deposit date: | 2017-12-10 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates To Be Published
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4RKV
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![BU of 4rkv by Molmil](/molmil-images/mine/4rkv) | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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7WQR
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![BU of 7wqr by Molmil](/molmil-images/mine/7wqr) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQS
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![BU of 7wqs by Molmil](/molmil-images/mine/7wqs) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-26 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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3KM2
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1G9N
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![BU of 1g9n by Molmil](/molmil-images/mine/1g9n) | HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | Authors: | Kwong, P.D, Wyatt, R, Majeed, S, Robinson, J, Sweet, R.W, Sodroski, J, Hendrickson, W.A. | Deposit date: | 2000-11-25 | Release date: | 2000-12-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of HIV-1 gp120 envelope glycoproteins from laboratory-adapted and primary isolates. Structure Fold.Des., 8, 2000
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7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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1P3I
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![BU of 1p3i by Molmil](/molmil-images/mine/1p3i) | Crystallographic Studies of Nucleosome Core Particles containing Histone 'Sin' Mutants | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | Authors: | Muthurajan, U.M, Bao, Y, Forsberg, L.J, Edayathumangalam, R.S, Dyer, P.N, White, C.L, Luger, K. | Deposit date: | 2003-04-17 | Release date: | 2004-02-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of histone Sin mutant nucleosomes reveal altered protein-DNA interactions EMBO J., 23, 2004
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6U7S
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5JGZ
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![BU of 5jgz by Molmil](/molmil-images/mine/5jgz) | Spin-Labeled T4 Lysozyme Construct T151V1 | Descriptor: | CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ... | Authors: | Balo, A.R, Feyrer, H, Ernst, O.P. | Deposit date: | 2016-04-20 | Release date: | 2017-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains. Biochemistry, 55, 2016
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8EEC
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![BU of 8eec by Molmil](/molmil-images/mine/8eec) | Crystal structure of HPK1 citron-homology domain | Descriptor: | Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2022-09-06 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | HPK1 Citron Homology Domain Serves as a Scaffold to Promote Phosphorylation of SLP76 To Be Published
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5EDV
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![BU of 5edv by Molmil](/molmil-images/mine/5edv) | Structure of the HOIP-RBR/UbcH5B~ubiquitin transfer complex | Descriptor: | E3 ubiquitin-protein ligase RNF31, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ... | Authors: | Lechtenberg, B.C, Mace, P.D, Sanishvili, R, Riedl, S.J. | Deposit date: | 2015-10-22 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Structure of a HOIP/E2~ubiquitin complex reveals RBR E3 ligase mechanism and regulation. Nature, 529, 2016
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5JNY
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![BU of 5jny by Molmil](/molmil-images/mine/5jny) | Crystal Structure of 10E8 Fab | Descriptor: | 10E8 Heavy Chain, 10E8 Light Chain, CHLORIDE ION, ... | Authors: | Ofek, G, Kwong, P. | Deposit date: | 2016-05-01 | Release date: | 2016-07-13 | Method: | X-RAY DIFFRACTION (3.041 Å) | Cite: | Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8. Plos One, 11, 2016
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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1GG8
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![BU of 1gg8 by Molmil](/molmil-images/mine/1gg8) | DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS | Descriptor: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | Authors: | Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C. | Deposit date: | 2000-07-30 | Release date: | 2000-08-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry, 33, 1994
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4OTI
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![BU of 4oti by Molmil](/molmil-images/mine/4oti) | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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1CX1
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![BU of 1cx1 by Molmil](/molmil-images/mine/1cx1) | SECOND N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI BETA-1,4-GLUCANASE C, NMR, 22 STRUCTURES | Descriptor: | ENDOGLUCANASE C | Authors: | Brun, E, Johnson, P.E, Creagh, L.A, Haynes, C.A, Tomme, P, Webster, P, Kilburn, D.G, McIntosh, L.P. | Deposit date: | 1999-08-27 | Release date: | 2000-04-02 | Last modified: | 2017-02-01 | Method: | SOLUTION NMR | Cite: | Structure and binding specificity of the second N-terminal cellulose-binding domain from Cellulomonas fimi endoglucanase C. Biochemistry, 39, 2000
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1FUE
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![BU of 1fue by Molmil](/molmil-images/mine/1fue) | FLAVODOXIN FROM HELICOBACTER PYLORI | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Freigang, J, Diederichs, K, Schaefer, K.P, Welte, W, Paul, R. | Deposit date: | 2000-09-15 | Release date: | 2002-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of oxidized flavodoxin, an essential protein in Helicobacter pylori. Protein Sci., 11, 2002
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6H10
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![BU of 6h10 by Molmil](/molmil-images/mine/6h10) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 To be published
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