7X9L
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 4 hr using 10 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-03-15 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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6KQN
| Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 6 nt | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Zhang, Y, Li, L, Ebright, R.H. | Deposit date: | 2019-08-18 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.489 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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4G4F
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6ELF
| Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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7XNE
| Crystal structure of CBP bromodomain liganded with Y08284 | Descriptor: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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4DQM
| Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
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6ENN
| Tryptophan Repressor TrpR from E.coli variant T44L T81M N87G S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-10-05 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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1E0X
| XYLANASE 10A FROM SREPTOMYCES LIVIDANS. XYLOBIOSYL-ENZYME INTERMEDIATE AT 1.65 A | Descriptor: | ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | Deposit date: | 2000-04-10 | Release date: | 2001-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A J.Biol.Chem., 275, 2000
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2JAV
| Human Kinase with pyrrole-indolinone ligand | Descriptor: | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-11-30 | Release date: | 2006-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Regulation of the Human Nek2 Centrosomal Kinase J.Biol.Chem., 282, 2007
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3GBK
| Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist | Descriptor: | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y. | Deposit date: | 2009-02-19 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists J.Med.Chem., 52, 2009
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6EL7
| Glucocorticoid Receptor in complex with compound 31 | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | Authors: | Edman, K, Wissler, L. | Deposit date: | 2017-09-28 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J. Med. Chem., 61, 2018
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1Q9L
| S25-2 Fab Unliganded 2 | Descriptor: | MAGNESIUM ION, S25-2 Fab (IgG1k) heavy chain, S25-2 Fab (IgG1k) light chain, ... | Authors: | Nguyen, H.P, Seto, N.O, MacKenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V. | Deposit date: | 2003-08-25 | Release date: | 2004-01-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Germline antibody recognition of distinct carbohydrate epitopes. Nat.Struct.Biol., 10, 2003
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6S86
| Human wtSTING in complex with 3'3'-c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon genes | Authors: | Smola, M, Boura, E. | Deposit date: | 2019-07-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | No magnesium is needed for binding of the stimulator of interferon genes to cyclic dinucleotides. Acta Crystallogr.,Sect.F, 75, 2019
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1D7L
| STRUCTURE-FUNCTION CORRELATIONS OF THE REACTION OF REDUCED NICOTINAMIDE ANALOGS WITH P-HYDROXYBENZOATE HYDROXYLASE SUBSTITUTED WITH A SERIES OF 8-SUBSTITUTED FLAVINS | Descriptor: | 8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ... | Authors: | Ortiz-Maldonado, M, Gatti, D, Ballou, D.P, Massey, V. | Deposit date: | 1999-10-18 | Release date: | 2000-01-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-function correlations of the reaction of reduced nicotinamide analogues with p-hydroxybenzoate hydroxylase substituted with a series of 8-substituted flavins. Biochemistry, 38, 1999
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6KQF
| Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 5 nt | Descriptor: | DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Zhang, Y, Li, L, Ebright, R.H. | Deposit date: | 2019-08-17 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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6F3B
| Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor | Descriptor: | 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, ACETATE ION, Carbonic anhydrase 1, ... | Authors: | Ferraroni, M, Supuran, C.T, Chiapponi, D, Bozdag, M. | Deposit date: | 2017-11-28 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX. J. Med. Chem., 61, 2018
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7RGS
| The crystal structure of RocC, containing FinO domain, 24-126 | Descriptor: | Repressor of competence, RNA Chaperone | Authors: | Kim, H.J, Edwards, R.A, Glover, J.N.M. | Deposit date: | 2021-07-15 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones. Nat Commun, 13, 2022
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1CQ9
| PEANUT LECTIN-TRICLINIC FORM | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN) | Authors: | Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 1999-08-06 | Release date: | 2002-05-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of the peanut lectin-lactose complex at acidic pH: retention of unusual
quaternary structure, empty and carbohydrate bound combining sites, molecular mimicry
and crystal packing directed by interactions at the combining site. Proteins, 43, 2001
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6FAG
| Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea inhibitor | Descriptor: | 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ... | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | Deposit date: | 2017-12-15 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX. J.Med.Chem., 61, 2018
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1DRW
| ESCHERICHIA COLI DHPR/NHDH COMPLEX | Descriptor: | DIHYDRODIPICOLINATE REDUCTASE, NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE | Authors: | Reddy, S.G, Scapin, G, Blanchard, J.S. | Deposit date: | 1996-06-28 | Release date: | 1997-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interaction of pyridine nucleotide substrates with Escherichia coli dihydrodipicolinate reductase: thermodynamic and structural analysis of binary complexes. Biochemistry, 35, 1996
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1FEN
| CRYSTALLOGRAPHIC STUDIES ON COMPLEXES BETWEEN RETINOIDS AND PLASMA RETINOL-BINDING PROTEIN | Descriptor: | ALL-TRANS AXEROPHTHENE, RETINOL BINDING PROTEIN | Authors: | Zanotti, G, Marcello, M, Malpeli, G, Sartori, G, Berni, R. | Deposit date: | 1994-08-29 | Release date: | 1994-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic studies on complexes between retinoids and plasma retinol-binding protein. J.Biol.Chem., 269, 1994
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2P5I
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1E0V
| Xylanase 10A from Sreptomyces lividans. cellobiosyl-enzyme intermediate at 1.7 A | Descriptor: | ENDO-1,4-BETA-XYLANASE A, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | Deposit date: | 2000-04-10 | Release date: | 2001-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A J.Biol.Chem., 275, 2000
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6R6O
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1D6E
| CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-13 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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