3CW7
 
 | | Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair | | Descriptor: | DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(8OG)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2008-04-21 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
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3CWT
 | | Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxyinosine:Adenine Base Pair | | Descriptor: | DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FI)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DAP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
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2MBF
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3CY0
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6MGQ
 | | ERAP1 in the open conformation bound to 10mer phosphinic inhibitor DG014 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Phosphinic inhibitor DG014, ... | | Authors: | Stern, L.J, Maben, Z. | | Deposit date: | 2018-09-14 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism.
Nat Commun, 12, 2021
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4BRR
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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4CBX
 | | Crystal structure of Plasmodium berghei actin II | | Descriptor: | ACTIN-2, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
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4C3Z
 | | Nucleotide-free crystal structure of nucleotide-binding domain 1 from human MRP1 supports a general-base catalysis mechanism for ATP hydrolysis. | | Descriptor: | MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1, SULFATE ION | | Authors: | Chaptal, V, Gueguen-Chaignon, V, Magnard, S, Falson, P, Di Pietro, A, Baubichon-Cortay, H. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleotide-Free Crystal Structure of Nucleotide-Binding Domain 1 from Human Abcc1 Supports a 'General-Base Catalysis' Mechanism for ATP Hydrolysis.
Biochem.Pharm., 3, 2014
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6SK8
 | | DeltaC3 C-terminal truncation of HsNMT1 in complex with MyrCoA and GDCFSKPR substrates | | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
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4CFT
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014
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3D38
 | | Crystal structure of new trigonal form of photosynthetic reaction center from Blastochloris viridis. Crystals grown in microfluidics by detergent capture. | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Li, L, Nachtergaele, S.H.M, Seddon, A.M, Tereshko, V, Ponomarenko, N, Ismagilov, R.F, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2008-05-09 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Simple host-guest chemistry to modulate the process of concentration and crystallization of membrane proteins by detergent capture in a microfluidic device.
J.Am.Chem.Soc., 130, 2008
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3CHF
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6MMB
 | | Diheteromeric NMDA receptor GluN1/GluN2A in the 'Super-Splayed' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 6.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ... | | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-09-30 | | Release date: | 2018-11-28 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (12.7 Å) | | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
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3CIA
 | | Crystal structure of cold-aminopeptidase from Colwellia psychrerythraea | | Descriptor: | ZINC ION, cold-active aminopeptidase | | Authors: | Bauvois, C, Jacquamet, L, Borel, F, Ferrer, J.-L. | | Deposit date: | 2008-03-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Cold-active Aminopeptidase from Colwellia psychrerythraea, a Close Structural Homologue of the Human Bifunctional Leukotriene A4 Hydrolase.
J.Biol.Chem., 283, 2008
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6MMS
 | | Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '2-Knuckle-Symmetric' conformation, in complex with glycine and glutamate, in the presence of 1 millimolar EDTA, and at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-10-01 | | Release date: | 2018-11-28 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.38 Å) | | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
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3CJC
 | | Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with DNase I and Gelsolin-segment 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O. | | Deposit date: | 2008-03-12 | | Release date: | 2008-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin.
Proc.Natl.Acad.Sci.USA, 105, 2008
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6SU7
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline | | Descriptor: | 3,4-Dichloroaniline, Glycosyltransferase | | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | | Deposit date: | 2019-09-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
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2ME9
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3CK8
 | | B. thetaiotaomicron SusD with beta-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | | Authors: | Koropatkin, N.M, Martens, E.C, Gordon, J.I, Smith, T.J. | | Deposit date: | 2008-03-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Structure, 16, 2008
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6SOB
 | | BamABCDE in MSP1D1 nanodisc ensemble 1-4 | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P. | | Deposit date: | 2019-08-29 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | BamABCDE in MSP1D1 nanodisc ensemble 1-4
To Be Published
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3CZJ
 | | E. COLI (lacZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE | | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | | Authors: | Huber, R.E, Dugdale, M.L, Fraser, M.E, Tammam, S.D. | | Deposit date: | 2008-04-29 | | Release date: | 2009-04-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Practical Considerations When Using Temperature to Obtain Rate Constants and Activation Thermodynamics of Enzymes with Two Catalytic Steps: Native and N460T-beta-Galactosidase (E. coli) as Examples.
Protein J., 28, 2009
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4CDT
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-11-05 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014
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2M9E
 | | NMR solution structure of Pin1 WW domain mutant 5-1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | | Deposit date: | 2013-06-07 | | Release date: | 2013-06-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
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6T0Z
 | | Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005) | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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