2BNY
 
 | | MS2 (N87A mutant) - RNA hairpin complex | | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN | | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | Deposit date: | 2005-04-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
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2BMO
 | | The Crystal Structure of Nitrobenzene Dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
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8QY1
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
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6D0C
 | | Crystal structure of HIF2a-B*:ARNT-B* complex | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2018-04-10 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of PT1940 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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8QY3
 | | Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
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6D19
 | | Crystal structure of KPC-2 complexed with compound 9 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D09
 | | Crystal structure of PT2440 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2018-04-10 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of PT1940 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6D0B
 | | Crystal structure of PT1614 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline | | Authors: | Du, X. | | Deposit date: | 2018-04-10 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of PT1614 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6D27
 | | Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, OLEIC ACID, ... | | Authors: | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | | Deposit date: | 2018-04-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition.
Mol. Cell, 72, 2018
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8QY0
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
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6D22
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6D38
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6D2V
 | | Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway | | Descriptor: | CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ... | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-04-14 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
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6D34
 | | Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme | | Descriptor: | ISOPROPYL ALCOHOL, TerC | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-04-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
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6CTV
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dCTP analogue | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6D3Q
 | | Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312. | | Descriptor: | Enolase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D. | | Deposit date: | 2018-04-16 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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7B88
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
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6CVC
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6CSL
 | | Pneumococcal PhtD protein 269-339 fragment with bound Zn(II) | | Descriptor: | Histidine triad protein D, ZINC ION | | Authors: | Luo, Z, Pederick, V.G, Paton, J.C, McDevitt, C.A, Kobe, B. | | Deposit date: | 2018-03-20 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.921 Å) | | Cite: | Structural characterisation of the HT3 motif of the polyhistidine triad protein D from Streptococcus pneumoniae.
FEBS Lett., 592, 2018
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6D0I
 | | ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex. | | Descriptor: | GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin | | Authors: | Piscotta, F.J, Jeffrey, P.D, Link, A.J. | | Deposit date: | 2018-04-10 | | Release date: | 2019-01-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6CTO
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dTTP analogue | | Descriptor: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6D17
 | | Crystal structure of KPC-2 complexed with compound 3 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D1R
 | | Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom | | Descriptor: | Ribonuclease P protein component | | Authors: | Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6D20
 | | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors | | Descriptor: | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
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6D3H
 | | FT_T dioxygenase with bound dichlorprop | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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