6CCE
| Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A | Descriptor: | 1,2-ETHANEDIOL, DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2018-02-07 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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3GHT
| Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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6CCV
| Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Rifampicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2018-02-07 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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3VHW
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP | Descriptor: | Vitamin D3 receptor, methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2011-09-08 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Synthesis of novel C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation on bone J.Steroid Biochem.Mol.Biol., 136, 2013
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2XZS
| Death associated protein kinase 1 residues 1-312 | Descriptor: | DEATH ASSOCIATED KINASE 1, MAGNESIUM ION | Authors: | Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J. | Deposit date: | 2010-11-29 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites. Structure, 24, 2016
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2X80
| P450 BM3 F87A in complex with DMSO | Descriptor: | BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Wong, T.S, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2010-03-05 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Role of Active-Site Phe87 in Modulating the Organic Co-Solvent Tolerance of Cytochrome P450 Bm3 Monooxygenase. Acta Crystallogr.,Sect.F, 68, 2012
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7OC0
| Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid | Descriptor: | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | Deposit date: | 2021-04-25 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
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6BZO
| Mtb RNAP Holo/RbpA/Fidaxomicin/upstream fork DNA | Descriptor: | DNA (26-MER), DNA (32-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2017-12-25 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6C06
| Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.15 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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4NG2
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2XPI
| Crystal structure of APC/C hetero-tetramer Cut9-Hcn1 | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT CUT9, ANAPHASE-PROMOTING COMPLEX SUBUNIT HCN1 HCN1/CDC26,20S CYCLOSOME/APC COMPLEX PROTEIN HCN1, CHAPERONE-LIKE PROTEIN HCN1, ... | Authors: | Zhang, Z, Kulkarni, K.A, Barford, D. | Deposit date: | 2010-08-26 | Release date: | 2011-03-30 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Apc/C Subunit Cdc16/Cut9 is a Contiguous Tetratricopeptide Superhelix with a Homo-Dimer Interface Similar to Cdc27 Embo J., 29, 2010
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2XNM
| Structure of NEK2 bound to CCT | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, ... | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-08-05 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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3DSZ
| Engineered human lipocalin 2 in complex with Y-DTPA | Descriptor: | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2 | Authors: | Eichinger, A, Skerra, A. | Deposit date: | 2008-07-14 | Release date: | 2009-05-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2 J.Am.Chem.Soc., 131, 2009
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1CEX
| STRUCTURE OF CUTINASE | Descriptor: | CUTINASE | Authors: | Longhi, S, Czjzek, M, Lamzin, V, Nicolas, A, Cambillau, C. | Deposit date: | 1997-02-18 | Release date: | 1997-08-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution (1.0 A) crystal structure of Fusarium solani cutinase: stereochemical analysis. J.Mol.Biol., 268, 1997
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1G5U
| LATEX PROFILIN HEVB8 | Descriptor: | PROFILIN, SODIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Ganglberger, E, Breiteneder, H, Almo, S.C. | Deposit date: | 2000-11-02 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Comparative Structural Analysis of Allergen Profilins HEVB8 and BETV2 To be Published
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7EH0
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7EH2
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7EH1
| Thermus thermophilus transcription initiation complex containing a template-strand purine at position TSS-2, GpG RNA primer, and CMPcPP | Descriptor: | 1,4-BUTANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (27-MER), ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2021-03-27 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Promoter-sequence determinants and structural basis of primer-dependent transcription initiation in Escherichia coli . Proc.Natl.Acad.Sci.USA, 118, 2021
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3DTQ
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2ZCG
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4JSU
| Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome J.Med.Chem., 56, 2013
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2ZHX
| Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex with a proteinaceous inhibitor | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | Authors: | Kaushal, P.S, Talawar, R.K, Krishna, P.D.V, Varshney, U, Vijayan, M. | Deposit date: | 2008-02-11 | Release date: | 2008-05-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Unique features of the structure and interactions of mycobacterial uracil-DNA glycosylase: structure of a complex of the Mycobacterium tuberculosis enzyme in comparison with those from other sources Acta Crystallogr.,Sect.D, 64, 2008
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4BPV
| MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide, CATHEPSIN S | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-05-28 | Release date: | 2014-06-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cathepsin S Nitrile Inhibitors To be Published
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3R9B
| Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 164A2, DODECANE, ... | Authors: | Agnew, C.R.J, Warrilow, A.G.S, Kelly, S.L, Brady, R.L. | Deposit date: | 2011-03-25 | Release date: | 2012-04-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
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4BS6
| MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN S, GLYCEROL | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-06-07 | Release date: | 2014-06-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cathepsin S Nitrile Inhibitors To be Published
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