4HRS
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4BGI
| Crystal structure of InhA(S94A) mutant in complex with OH-141 | Descriptor: | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pojer, F, Hartkoorn, R.C, Cole, S.T. | Deposit date: | 2013-03-27 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA. Nat. Chem. Biol., 10, 2014
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4I33
| Crystal structure of HCV NS3/4A R155K protease complexed with compound 4 | Descriptor: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | Authors: | Lemke, C.T. | Deposit date: | 2012-11-23 | Release date: | 2013-01-02 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.9001 Å) | Cite: | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
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4BIT
| solution structure of cerebral dopamine neurotrophic factor (CDNF) | Descriptor: | CEREBRAL DOPAMINE NEUROTROPHIC FACTOR | Authors: | Latge, C, Cabral, K.M.S, Raymundo, D.P, Foguel, D, Herrmann, T, Almeida, M.S. | Deposit date: | 2013-04-13 | Release date: | 2014-04-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Solution Structure and Dynamics of Full-Length Human Cerebral Dopamine Neurotrophic Factor and its Neuroprotective Role Against Alpha-Synuclein Oligomers. J.Biol.Chem., 290, 2015
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1PSU
| Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon | Descriptor: | Phenylacetic acid degradation protein PaaI | Authors: | Kniewel, R, Buglino, J, Solorzano, V, Wu, J, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-06-21 | Release date: | 2003-07-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, function, and mechanism of the phenylacetate pathway hot dog-fold thioesterase PaaI. J.Biol.Chem., 281, 2006
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4IJV
| Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2012-12-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 5, 2014
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4K4B
| X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA | Descriptor: | CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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4IG7
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3ZNC
| MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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4IJM
| Crystal structure of circadian clock protein KaiC A422V mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Egli, M, Pattanayek, R. | Deposit date: | 2012-12-21 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock. Biochemistry, 52, 2013
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1QZY
| Human Methionine Aminopeptidase in complex with bengamide inhibitor LAF153 and cobalt | Descriptor: | (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE, COBALT (II) ION, Methionine aminopeptidase 2, ... | Authors: | Eck, M.J, Song, H.K, Morollo, A. | Deposit date: | 2003-09-18 | Release date: | 2003-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Proteomics-based target identification: bengamides as a new class of methionine aminopeptidase inhibitors. J.Biol.Chem., 278, 2003
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3WCA
| The complex structure of TcSQS with ligand, FSPP | Descriptor: | Farnesyltransferase, putative, MAGNESIUM ION, ... | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2013-05-26 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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4KC3
| Cytokine/receptor binary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33 | Authors: | Liu, X, Wang, X.Q. | Deposit date: | 2013-04-24 | Release date: | 2013-08-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.2702 Å) | Cite: | Structural insights into the interaction of IL-33 with its receptors. Proc.Natl.Acad.Sci.USA, 110, 2013
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1RHI
| HUMAN RHINOVIRUS 3 COAT PROTEIN | Descriptor: | CALCIUM ION, HUMAN RHINOVIRUS 3 COAT PROTEIN | Authors: | Zhao, R, Rossmann, M.G. | Deposit date: | 1996-06-17 | Release date: | 1997-03-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human rhinovirus 3 at 3.0 A resolution. Structure, 4, 1996
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4IUP
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4IUV
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4BA6
| High Resolution structure of the C-terminal family 65 Carbohydrate Binding Module (CBM65B) of endoglucanase Cel5A from Eubacterium cellulosolvens | Descriptor: | Endoglucanase cel5A, GLYCEROL | Authors: | Venditto, I, Luis, A.S, Basle, A, Temple, M, Ferreira, L.M.A, Fontes, C.M.G.A, Gilbert, H.J, Najmudin, S. | Deposit date: | 2012-09-11 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Understanding how noncatalytic carbohydrate binding modules can display specificity for xyloglucan. J. Biol. Chem., 288, 2013
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4K4C
| X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA | Descriptor: | Proofreading thioesterase EntH, phenacyl coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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1PYE
| Crystal structure of CDK2 with inhibitor | Descriptor: | Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE | Authors: | Zhang, F, Hamdouchi, C. | Deposit date: | 2003-07-08 | Release date: | 2004-07-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines. MOL.CANCER THER., 3, 2004
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1PVM
| Crystal Structure of a Conserved CBS Domain Protein TA0289 of Unknown Function from Thermoplasma acidophilum | Descriptor: | MERCURY (II) ION, conserved hypothetical protein Ta0289 | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-06-27 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain J.Mol.Biol., 375, 2008
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4KIQ
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4KKO
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor | Descriptor: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | Authors: | Frey, K.M, Anderson, K.S. | Deposit date: | 2013-05-06 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
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3WFX
| Crystal Structure of the Imidazole-Bound Form of the HGbRL's Globin Domain | Descriptor: | HEXANE-1,6-DIOL, Hemoglobin-like flavoprotein fused to Roadblock/LC7 domain, IMIDAZOLE, ... | Authors: | Teh, A.H. | Deposit date: | 2013-07-24 | Release date: | 2014-08-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Open and Lys-His Hexacoordinated Closed Structures of a Globin with Swapped Proximal and Distal Sites. Sci Rep, 5, 2015
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3WH8
| Crystal structure of GH1 beta-glucosidase Td2F2 isofagomine complex | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ... | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | Deposit date: | 2013-08-21 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2. Febs J., 283, 2016
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1S16
| Crystal Structure of E. coli Topoisomerase IV ParE 43kDa subunit complexed with ADPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Wei, Y, Gross, C.H. | Deposit date: | 2004-01-05 | Release date: | 2004-05-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase. Antimicrob.Agents Chemother., 48, 2004
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