1AL1
 
 | | CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN | | Descriptor: | ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION | | Authors: | Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D. | | Deposit date: | 1990-07-02 | | Release date: | 1991-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of alpha 1: implications for protein design.
Science, 249, 1990
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1AIW
 | | NMR STRUCTURES OF THE CELLULOSE-BINDING DOMAIN OF THE ENDOGLUCANASE Z FROM ERWINIA CHRYSANTHEMI, 23 STRUCTURES | | Descriptor: | ENDOGLUCANASE Z | | Authors: | Brun, E, Moriaud, F, Gans, P, Blackledge, M.J, Barras, F, Marion, D. | | Deposit date: | 1997-04-30 | | Release date: | 1998-05-06 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the cellulose-binding domain of the endoglucanase Z secreted by Erwinia chrysanthemi.
Biochemistry, 36, 1997
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5EIL
 | | Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid | | Descriptor: | FE (III) ION, TRI-05 | | Authors: | Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D. | | Deposit date: | 2015-10-30 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational design of a homotrimeric metalloprotein with a trisbipyridyl core.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5GY7
 | | X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis. | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NITRATE ION, ... | | Authors: | Singh, N, Tiwari, P, Phulera, S, Dixit, A, Choudhury, D. | | Deposit date: | 2016-09-21 | | Release date: | 2016-11-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis.
To Be Published
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3OY1
 | | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | | Descriptor: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | | Deposit date: | 2010-09-22 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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5GXV
 | | Crystal structure of PigG | | Descriptor: | MAGNESIUM ION, Maltose-binding periplasmic protein,PigG | | Authors: | Zhang, F, Ran, T, Xu, D, Wang, W. | | Deposit date: | 2016-09-20 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of MBP-PigG fusion protein and the essential function of PigG in the prodigiosin biosynthetic pathway in Serratia marcescens FS14.
Int. J. Biol. Macromol., 99, 2017
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5H1E
 | | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | | Authors: | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
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3SIG
 | | The X-ray crystal structure of poly(ADP-ribose) glycohydrolase (PARG) bound to ADP-ribose from Thermomonospora curvata | | Descriptor: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, poly(ADP-ribose) glycohydrolase | | Authors: | Leys, D, Dunstan, M.S. | | Deposit date: | 2011-06-18 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
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1B4T
 | | H48C YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | | Descriptor: | CHLORIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ... | | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | | Deposit date: | 1998-12-23 | | Release date: | 1999-12-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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5H3N
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7LUS
 | | IgG2 Fc Charge Pair Mutation version 1 (CPMv1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2 | | Authors: | Sudom, A, Whittington, D, Garces, F, Wang, Z. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
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8R1G
 | | Dimeric ternary structure of E6AP-E6-p53 | | Descriptor: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | | Authors: | Sandate, C.R, Chakrabory, D, Kater, L, Kempf, G, Thoma, N.H. | | Deposit date: | 2023-11-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
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5H3M
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5G5T
 | | Structure of the Argonaute protein from Methanocaldcoccus janaschii in complex with guide DNA | | Descriptor: | ARGONAUTE, GUIDE DNA, MAGNESIUM ION, ... | | Authors: | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | | Deposit date: | 2016-06-03 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein.
Nat Microbiol, 2, 2017
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5G37
 | | MR structure of the binary mosquito larvicide BinAB at pH 5 | | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | Deposit date: | 2016-04-24 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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5G4L
 | | Phloroglucinol reductase from Clostridium sp. with bound NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | | Deposit date: | 2016-05-13 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4P38
 | | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 | | Descriptor: | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | Authors: | Ogg, D, Hargreaves, D, Gerhardt, S. | | Deposit date: | 2014-03-06 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
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5G3Z
 | | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | | Descriptor: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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1B4L
 | | 15 ATMOSPHERE OXYGEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | | Descriptor: | COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ZINC ION | | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | | Deposit date: | 1998-12-22 | | Release date: | 1999-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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5G5S
 | | Structure of the Argonaute protein from Methanocaldcoccus janaschii | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGONAUTE, MAGNESIUM ION | | Authors: | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | | Deposit date: | 2016-06-03 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein.
Nat Microbiol, 2, 2017
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7P9D
 | | Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | | Authors: | Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D. | | Deposit date: | 2021-07-27 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
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7P9E
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1D92
 | | REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3') | | Authors: | Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O. | | Deposit date: | 1992-10-17 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs.
J.Mol.Biol., 190, 1986
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3SPD
 | | Crystal structure of aprataxin ortholog Hnt3 in complex with DNA | | Descriptor: | Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ... | | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | | Deposit date: | 2011-07-01 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Nat.Struct.Mol.Biol., 18, 2011
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5EPO
 | | The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase | | Descriptor: | 7-alpha-hydroxysteroid deydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lou, D, Wang, B, Wang, F. | | Deposit date: | 2015-11-12 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The three-dimensional structure of Clostridium absonum 7 alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition
Sci Rep, 6, 2016
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