4WO3
 
 | | THE SECOND C-KIT DNA QUADRUPLEX CRYSTAL STRUCTURE | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'), POTASSIUM ION | | Authors: | Wei, D, Neidle, S. | | Deposit date: | 2014-10-15 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | THE SECOND C-KIT1 DNA QUADRUPLEX CRYSTAL STRUCTURE
TO BE PUBLISHED
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1G87
 | | THE CRYSTAL STRUCTURE OF ENDOGLUCANASE 9G FROM CLOSTRIDIUM CELLULOLYTICUM | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOCELLULASE 9G, ... | | Authors: | Mandelman, D, Belaich, A, Belaich, J.P, Aghajari, N, Driguez, H, Haser, R. | | Deposit date: | 2000-11-16 | | Release date: | 2003-07-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-Ray Crystal Structure of the Multidomain Endoglucanase Cel9G from Clostridium
cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides
J.BACTERIOL., 185, 2003
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1G8Q
 | | CRYSTAL STRUCTURE OF HUMAN CD81 EXTRACELLULAR DOMAIN, A RECEPTOR FOR HEPATITIS C VIRUS | | Descriptor: | CD81 ANTIGEN, EXTRACELLULAR DOMAIN | | Authors: | Kitadokoro, K, Bolognesi, M, Bordo, D, Grandi, G, Galli, G, Petracca, R, Falugi, F. | | Deposit date: | 2000-11-20 | | Release date: | 2001-02-21 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CD81 extracellular domain 3D structure: insight into the tetraspanin superfamily structural motifs.
EMBO J., 20, 2001
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1TVT
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1TOF
 | | THIOREDOXIN H (OXIDIZED FORM), NMR, 23 STRUCTURES | | Descriptor: | THIOREDOXIN H | | Authors: | Mittard, V, Blackledge, M.J, Stein, M, Jacquot, J.-P, Marion, D, Lancelin, J.-M. | | Deposit date: | 1996-05-30 | | Release date: | 1996-12-07 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of an oxidised thioredoxin h from the eukaryotic green alga Chlamydomonas reinhardtii.
Eur.J.Biochem., 243, 1997
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4WH0
 | | YcaC from Pseudomonas aeruginosa with S-mercaptocysteine active site cysteine | | Descriptor: | CHLORIDE ION, Putative hydrolase | | Authors: | Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.563 Å) | | Cite: | Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
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6ODB
 | | Crystal structure of HDAC8 in complex with compound 3 | | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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1GKG
 | | Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35) | | Descriptor: | COMPLEMENT RECEPTOR TYPE 1 | | Authors: | Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N. | | Deposit date: | 2001-08-14 | | Release date: | 2002-04-18 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor
Cell(Cambridge,Mass.), 108, 2002
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8D8O
 | | Cryo-EM structure of substrate unbound PAPP-A | | Descriptor: | Pappalysin-1, ZINC ION | | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
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4WJB
 | | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, Putative amidohydrolase/peptidase, SULFATE ION, ... | | Authors: | Lukacs, C.M, Dranow, D.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia
To Be Published
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6OEX
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | | Descriptor: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2019-03-28 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
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1FVT
 | | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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4WKU
 | | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | | Deposit date: | 2014-10-03 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
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4WMD
 | | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221 | | Descriptor: | DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ... | | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | | Deposit date: | 2014-10-08 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.585 Å) | | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
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3T0Q
 | | Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ... | | Authors: | Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S. | | Deposit date: | 2011-07-20 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
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6PSC
 | | Antibody scFv-M204 trimeric state | | Descriptor: | scFv-M204 antibody | | Authors: | Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2019-07-12 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
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6PZN
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6PXF
 | | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | | Descriptor: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | | Authors: | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | | Deposit date: | 2019-07-25 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
To Be Published
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1G0W
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4OAL
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor CPPU in alternative spacegroup | | Descriptor: | 1-(2-chloropyridin-4-yl)-3-phenylurea, Cytokinin dehydrogenase 4, DIMETHYL SULFOXIDE, ... | | Authors: | Kopecny, D, Morera, S, Vigouroux, A, Koncitikova, R. | | Deposit date: | 2014-01-05 | | Release date: | 2015-04-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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1G84
 | | THE SOLUTION STRUCTURE OF THE C EPSILON2 DOMAIN FROM IGE | | Descriptor: | IMMUNOGLOBULIN E | | Authors: | McDonnell, J.M, Cowburn, D, Gould, H.J, Sutton, B.J, Calvert, R, Beavil, R.E, Beavil, A.J, Henry, A.J. | | Deposit date: | 2000-11-16 | | Release date: | 2001-05-16 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | The structure of the IgE Cepsilon2 domain and its role in stabilizing the complex with its high-affinity receptor FcepsilonRIalpha.
Nat.Struct.Biol., 8, 2001
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4Y6W
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6Q3Z
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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4Y62
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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1GEF
 | | Crystal structure of the archaeal holliday junction resolvase HJC | | Descriptor: | HOLLIDAY JUNCTION RESOLVASE, SULFATE ION | | Authors: | Nishino, T, Komori, K, Tsuchiya, D, Ishino, Y, Morikawa, K. | | Deposit date: | 2000-11-08 | | Release date: | 2001-03-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the archaeal holliday junction resolvase Hjc and implications for DNA recognition.
Structure, 9, 2001
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