5DKP
 
 | | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | | Authors: | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.
J.Med.Chem., 59, 2016
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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3UH6
 | | HBI (T72A) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHG
 | | HBI (L36M) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHT
 | | HBI (L36V) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHN
 | | HBI (F80Y) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHX
 | | HBI (N100A) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1I79
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-08 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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3UIC
 | | Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor | | Descriptor: | 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E. | | Deposit date: | 2011-11-04 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.
J.Med.Chem., 55, 2012
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3UHU
 | | HBI (M37A) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UGV
 | | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG | | Descriptor: | CHLORIDE ION, Enolase, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-11-03 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
to be published
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7NPN
 | | B-brick bare in 5 mM Mg2+ | | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Bertosin, E, Stoemmer, P, Feigl, E, Wenig, M, Honemann, M, Dietz, H. | | Deposit date: | 2021-02-27 | | Release date: | 2021-03-31 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (10.38 Å) | | Cite: | Cryo-Electron Microscopy and Mass Analysis of Oligolysine-Coated DNA Nanostructures.
Acs Nano, 15, 2021
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7NDP
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | Deposit date: | 2021-02-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor.
Rsc Adv, 11, 2021
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2XQW
 | | Structure of Factor H domains 19-20 in complex with complement C3d | | Descriptor: | COMPLEMENT C3, COMPLEMENT FACTOR H | | Authors: | Kajander, T, Lehtinen, M.J, Hyvarinen, S, Bhattacharjee, A, Leung, E, Isenman, D.E, Meri, S, Jokiranta, T.S, Goldman, A. | | Deposit date: | 2010-09-07 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.306 Å) | | Cite: | Dual Interaction of Factor H with C3D and Glycosaminoglycans in Host-Nonhost Discrimination by Complement.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1I2L
 | | DEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI WITH INHIBITOR | | Descriptor: | 4-AMINO-4-DEOXYCHORISMATE LYASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | Authors: | Jensen, P.Y, Parsons, J.F, Fisher, K.E, Pachikara, A.S, Tordova, M, Howard, A.J, Eisenstein, E, Ladner, J.E. | | Deposit date: | 2001-02-09 | | Release date: | 2003-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Mechanism of Escherichia coli Aminodeoxychorismate Lyase
To be Published
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1I2W
 | | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID | | Authors: | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | | Deposit date: | 2001-02-12 | | Release date: | 2002-03-13 | | Last modified: | 2018-09-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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5KW6
 | | Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base | | Descriptor: | DNA (30-MER), Poly(U)-binding-splicing factor PUF60 | | Authors: | Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T. | | Deposit date: | 2016-07-15 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
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3L50
 | | The crystal structure of human Glia Maturation Factor, Gamma (GMFG) | | Descriptor: | CHLORIDE ION, Glia maturation factor gamma | | Authors: | Ugochukwu, E, Pilka, E, Krysztofinska, E, Hapka, E, Krojer, T, Muniz, J, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human Glia Maturation Factor, Gamma (GMFG)
To be Published
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3UH5
 | | HBI (L36F) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5KZP
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5WGT
 | | Crystal Structure of MalA' H253A, premalbrancheamide complex | | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Fraley, A.E, Smith, J.L. | | Deposit date: | 2017-07-14 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
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3ULP
 | | Plasmodium falciparum SSB complex with ssDNA | | Descriptor: | DNA (35-MER), Single-strand binding protein | | Authors: | Antony, E, Lohman, T.M, Korolev, S. | | Deposit date: | 2011-11-11 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Plasmodium falciparum SSB Tetramer Wraps Single-Stranded DNA with Similar Topology but Opposite Polarity to E. coli SSB.
J.Mol.Biol., 420, 2012
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2Y5L
 | | orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | | Authors: | ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e. | | Deposit date: | 2011-01-14 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
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3UHH
 | | HBI (M37A) CO bound | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHR
 | | HBI (L36F) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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