3NT1
 
 | | High resolution structure of naproxen:COX-2 complex. | | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | | Deposit date: | 2010-07-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
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3NQT
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-06-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3NWR
 | | Crystal structure of a rubisco-like protein from Burkholderia fungorum | | Descriptor: | A rubisco-like protein, GLYCEROL, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-07-10 | | Release date: | 2010-07-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Crystal structure of a rubisco-like protein from Burkholderia fungorum
To be Published
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1UUG
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH WILD-TYPE UDG AND WILD-TYPE UGI | | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | | Authors: | Mol, C.D, Arvai, A.S, Putnam, C.D, Tainer, J.A. | | Deposit date: | 1998-10-31 | | Release date: | 1999-03-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
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2PP1
 | | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate | | Descriptor: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-04-27 | | Release date: | 2007-08-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
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1UZZ
 | | Erythrina cristagalli bound to N-linked oligosaccharide and lactose | | Descriptor: | CALCIUM ION, GLYCEROL, Lectin, ... | | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2004-03-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose.
Glycobiology, 14, 2004
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2PUR
 | | Structure of dihydrodipicolinate synthase mutant Thr44Ser at 1.7 A. | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Specificity versus catalytic potency: The role of threonine 44 in Escherichia coli dihydrodipicolinate synthase mediated catalysis.
Biochimie, 91, 2009
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7PMU
 | | Crystal structure of native Iripin-8 | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ... | | Authors: | Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A. | | Deposit date: | 2021-09-02 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement.
Int J Mol Sci, 22, 2021
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2POG
 | | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | | Authors: | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | | Deposit date: | 2007-04-26 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
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1VC0
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Imidazole and Sr2+ solution | | Descriptor: | Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-03 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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1UXM
 | | A4V mutant of human SOD1 | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | | Deposit date: | 2004-02-26 | | Release date: | 2004-03-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004
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1US8
 | | The Rad50 signature motif: essential to ATP binding and biological function | | Descriptor: | DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE | | Authors: | Moncalian, G, Lengsfeld, B, Bhaskara, V, Hopfner, K.P, Karcher, A, Alden, E, Tainer, J.A, Paull, T.T. | | Deposit date: | 2003-11-20 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Rad50 Signature Motif: Essential to ATP Binding and Biological Function
J.Mol.Biol., 335, 2004
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1VC6
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Product with C75U Mutaion, cleaved in Imidazole and Mg2+ solutions | | Descriptor: | Hepatitis Delta virus ribozyme, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-04 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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2QA6
 | | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-06-14 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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2QE4
 | | Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T. | | Deposit date: | 2007-06-22 | | Release date: | 2007-09-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring.
Bioorg.Med.Chem.Lett., 17, 2007
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1URW
 | | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | | Descriptor: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P. | | Deposit date: | 2003-11-11 | | Release date: | 2004-04-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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1V00
 | | Erythrina cristagalli lectin | | Descriptor: | CALCIUM ION, LECTIN (ECL), MANGANESE (II) ION, ... | | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2004-03-21 | | Release date: | 2004-06-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Erythrina Cristagalli Lectin with Bound N-Linked Oligosaccharide and Lactose
Glycobiology, 14, 2004
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1VBX
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in EDTA solution | | Descriptor: | Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-03 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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7Q1L
 | | Glycosilated Human Serum Apo-tranferrin | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | | Deposit date: | 2021-10-20 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin.
Int J Mol Sci, 22, 2021
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2QA7
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2QS6
 | | Structure of a Hoogsteen antiparallel duplex with extra-helical thymines | | Descriptor: | DNA (5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DCP*DT)-3') | | Authors: | Pous, J, Urpi, L, Subirana, J.A, Gouyette, C, Navaza, J, Campos, J.L. | | Deposit date: | 2007-07-30 | | Release date: | 2008-03-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Stabilization by extra-helical thymines of a DNA duplex with Hoogsteen base pairs.
J.Am.Chem.Soc., 130, 2008
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3C7H
 | | Crystal structure of glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with AXOS-4-0.5. | | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ... | | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | | Deposit date: | 2008-02-07 | | Release date: | 2008-11-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Biochem.J., 418, 2009
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3CTW
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1W3B
 | | The superhelical TPR domain of O-linked GlcNAc transferase reveals structural similarities to importin alpha. | | Descriptor: | CALCIUM ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 | | Authors: | Jinek, M, Rehwinkel, J, Lazarus, B.D, Izaurralde, E, Hanover, J.A, Conti, E. | | Deposit date: | 2004-07-14 | | Release date: | 2004-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Superhelical Tpr-Repeat Domain of O-Linked Glcnac Transferase Exhibits Structural Similarities to Importin Alpha
Nat.Struct.Mol.Biol., 11, 2004
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