480D
 
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4L9G
 | | Structure of PpsR N-Q-PAS1 from Rb. sphaeroides | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, Transcriptional regulator, ... | | Authors: | Heintz, U, Meinhart, A, Schlichting, I, Winkler, A. | | Deposit date: | 2013-06-18 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multi-PAS domain-mediated protein oligomerization of PpsR from Rhodobacter sphaeroides.
Acta Crystallogr.,Sect.D, 70, 2014
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4LAR
 | | Crystal structure of a therapeutic single chain antibody in complex with amphetamine | | Descriptor: | (2S)-1-phenylpropan-2-amine, Single chain antibody fragment scFv6H4 | | Authors: | Celical, R, Gokulan, K, Peterson, E.C, Varughese, K.I. | | Deposit date: | 2013-06-20 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural characterization of a therapeutic anti-methamphetamine antibody fragment: oligomerization and binding of active metabolites.
Plos One, 8, 2013
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4ERO
 | | Study on structure and function relationships in human Pirin with Cobalt ion | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Pirin | | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | | Deposit date: | 2012-04-20 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4ETA
 | | Lysozyme, room temperature, 400 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4LDR
 | | Structure of the S283Y mutant of MRDI | | Descriptor: | Methylthioribose-1-phosphate isomerase | | Authors: | Sousa, M.C, Templeton, P.D, Metzner, S.I. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Structure of Mediator of RhoA-Dependent Invasion (MRDI) Explains Its Dual Function as a Metabolic Enzyme and a Mediator of Cell Invasion.
Biochemistry, 52, 2013
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4LAQ
 | | Crystal structure of a therapeutic single chain antibody in the free form | | Descriptor: | D-MALATE, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Celikel, R, Gokulan, K, Peterson, E.C, Varughese, K.I. | | Deposit date: | 2013-06-20 | | Release date: | 2014-01-08 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural characterization of a therapeutic anti-methamphetamine antibody fragment: oligomerization and binding of active metabolites.
Plos One, 8, 2013
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4NPT
 | | Crystal Structure of HIV-1 Protease Multiple Mutant P51 Complexed with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2013-11-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps.
Acs Chem.Biol., 9, 2014
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4NR6
 | | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand | | Descriptor: | 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
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4NRB
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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4EB3
 | | Crystal structure of IspH in complex with iso-HMBPP | | Descriptor: | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E. | | Deposit date: | 2012-03-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
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4NC5
 | | Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, PHOSPHATE ION, Sialidase-2 | | Authors: | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | | Deposit date: | 2013-10-24 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NIO
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3RKV
 | | C-terminal domain of protein C56C10.10, a putative peptidylprolyl isomerase, from Caenorhabditis elegans | | Descriptor: | putative peptidylprolyl isomerase | | Authors: | Osipiuk, J, Tesar, C, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | C-terminal domain of protein C56C10.10, a putative peptidylprolyl isomerase, from Caenorhabditis elegans
To be Published
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4DET
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5VH8
 | | Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1 | | Descriptor: | RNA (5'-R(*GP*AP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*C)-3') | | Authors: | Chen, J.L, VanEtten, D.M, Fountain, M.A, Yildirim, I, Disney, M.D. | | Deposit date: | 2017-04-12 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and Dynamics of RNA Repeat Expansions That Cause Huntington's Disease and Myotonic Dystrophy Type 1.
Biochemistry, 56, 2017
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4DQ4
 | | Bovine beta-lactoglobulin complex with linoleic acid | | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | | Authors: | Loch, J.I, Lewinski, K. | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
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4NQN
 | | Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand | | Descriptor: | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-25 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
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5VGP
 | | Fc fragment of human IgG1 antibody, from NIST mAb | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Human Fc fragment with G1F/G0F glycan, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gallagher, D.T, Galvin, C.V, Karageorgos, I, Marino, J.P. | | Deposit date: | 2017-04-11 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.116 Å) | | Cite: | Structure of the Fc fragment of the NIST reference antibody RM8671.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4NUG
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4DMO
 | | Crystal structure of the (BACCR)NAT3 arylamine N-acetyltransferase from Bacillus cereus reveals a unique Cys-His-Glu catalytic triad | | Descriptor: | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, N-hydroxyarylamine O-acetyltransferase | | Authors: | Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F. | | Deposit date: | 2012-02-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural and Biochemical Characterization of an Active Arylamine N-Acetyltransferase Possessing a Non-canonical Cys-His-Glu Catalytic Triad.
J.Biol.Chem., 288, 2013
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3R2X
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4NE7
 | | Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367 | | Descriptor: | Kumamolisin-As, ZINC ION | | Authors: | Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-28 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR367
To be Published
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4DEW
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4MQT
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
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