1GR1
 
 | | Structure of Ferredoxin-NADP+ Reductase with Glu 139 replaced by Lys (E139K) | | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 2001-12-12 | | Release date: | 2002-10-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Probing the Role of Glutamic Acid 139 of Anabena Ferrodoxin-Nadp+ Reductase in the Interaction with Substrates
Eur.J.Biochem., 269, 2002
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1GRP
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1H00
 | | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | | Descriptor: | (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2002-06-10 | | Release date: | 2003-07-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1H4X
 | | Structure of the Bacillus Cell Fate Determinant SpoIIAA in the Phosphorylated Form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-15 | | Release date: | 2001-07-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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5KOZ
 | | Structure function studies of R. palustris RubisCO (K192C mutant; CABP-bound) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | | Authors: | Arbing, M.A, North, J.A, Satagopan, S, Tabita, F.R. | | Deposit date: | 2016-07-01 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure function studies of R. palustris RubisCO.
To Be Published
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5KRI
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol | | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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1H42
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR AND LEU 263 REPLACED BY PRO (T155G-A160T-L263P) | | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 2002-09-26 | | Release date: | 2003-09-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity
J.Biol.Chem., 278, 2003
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5KVH
 | | Crystal structure of human apoptosis-inducing factor with W196A mutation | | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
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1GUL
 | | HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE | | Descriptor: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 | | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | | Deposit date: | 1998-06-10 | | Release date: | 1999-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products
J.Mol.Biol., 288, 1999
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5LB3
 | | Crystal structure of human RECQL5 helicase in complex with ADP/Mg. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
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5KRA
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE | | Descriptor: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ... | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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1HQ1
 | | STRUCTURAL AND ENERGETIC ANALYSIS OF RNA RECOGNITION BY A UNIVERSALLY CONSERVED PROTEIN FROM THE SIGNAL RECOGNITION PARTICLE | | Descriptor: | 4.5S RNA DOMAIN IV, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Batey, R.T, Sagar, M.B, Doudna, J.A. | | Deposit date: | 2000-12-13 | | Release date: | 2001-01-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and energetic analysis of RNA recognition by a universally conserved protein from the signal recognition particle.
J.Mol.Biol., 307, 2001
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5KVI
 | | Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ... | | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
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5KWB
 | | Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 1.9 angstrom, molecular replacement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Spike glycoprotein, ... | | Authors: | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2016-07-17 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
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1HKH
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1DCO
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1T9H
 | | The crystal structure of YloQ, a circularly permuted GTPase. | | Descriptor: | ACETATE ION, CALCIUM ION, Probable GTPase engC, ... | | Authors: | Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Cladiere, L, Antson, A.A, Isupov, M.N, Seror, S.J, Wilkinson, A.J. | | Deposit date: | 2004-05-17 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of YloQ, a Circularly Permuted GTPase Essential for Bacillus Subtilis Viability.
J.Mol.Biol., 340, 2004
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1HLK
 | | METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR | | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ... | | Authors: | Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | | Deposit date: | 2000-12-01 | | Release date: | 2001-11-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
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1ISC
 | | STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | | Descriptor: | AZIDE ION, FE (III) ION, IRON(III) SUPEROXIDE DISMUTASE | | Authors: | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | | Deposit date: | 1994-07-12 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
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1HOW
 | | THE X-RAY CRYSTAL STRUCTURE OF SKY1P, AN SR PROTEIN KINASE IN YEAST | | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE YMR216C, SULFATE ION | | Authors: | Nolen, B.J, Yun, C.Y, Wong, C.F, McCammon, J.A, Fu, X.-D, Ghosh, G. | | Deposit date: | 2000-12-11 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of Sky1p reveals a novel mechanism for constitutive activity.
Nat.Struct.Biol., 8, 2001
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1HX8
 | | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF DROSOPHILA AP180 | | Descriptor: | SULFATE ION, SYNAPSE-ENRICHED CLATHRIN ADAPTOR PROTEIN LAP | | Authors: | Mao, Y, Chen, J, Maynard, J.A, Zhang, B, Quiocho, F.A. | | Deposit date: | 2001-01-12 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A novel all helix fold of the AP180 amino-terminal domain for phosphoinositide binding and clathrin assembly in synaptic vesicle endocytosis.
Cell(Cambridge,Mass.), 104, 2001
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1HYK
 | | AGOUTI-RELATED PROTEIN (87-132) (AC-AGRP(87-132)) | | Descriptor: | AGOUTI RELATED PROTEIN | | Authors: | Bolin, K.A, Anderson, D.J, Trulson, J.A, Thompson, D.A, Wilken, J, Kent, S.B.H, Millhauser, G.L. | | Deposit date: | 2001-01-19 | | Release date: | 2001-02-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR structure of a minimized human agouti related protein prepared by total chemical synthesis.
FEBS Lett., 451, 1999
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1B7G
 | | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE | | Descriptor: | PROTEIN (GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE), SULFATE ION | | Authors: | Isupov, M.N, Littlechild, J.A. | | Deposit date: | 1999-01-22 | | Release date: | 1999-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus.
J.Mol.Biol., 291, 1999
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1ISA
 | | STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | | Descriptor: | FE (II) ION, IRON(II) SUPEROXIDE DISMUTASE | | Authors: | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | | Deposit date: | 1994-07-12 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
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1DKS
 | | CKSHS1: HUMAN CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1 IN COMPLEX WITH PHOSPHATE | | Descriptor: | CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1, PHOSPHATE ION | | Authors: | Bourne, Y, Arvai, A.S, Tainer, J.A. | | Deposit date: | 1995-11-22 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
J.Mol.Biol., 249, 1995
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