5CN7
 
 | | Ultrafast dynamics in myoglobin: 0.2 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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1OK1
 | | Decay accelerating factor (cd55) : the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK3
 | | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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5CNE
 | | Ultrafast dynamics in myoglobin: 10 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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6L6M
 | | HSP18.5 from E. histolytica | | Descriptor: | Heat shock protein hsp20 family putative | | Authors: | Kurre, D, Suguna, K. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.28000379 Å) | | Cite: | Network of Entamoeba histolytica HSP18.5 dimers formed by two overlapping [IV]-X-[IV] motifs.
Proteins, 2021
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1OK9
 | | Decay accelerating factor (CD55): The structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-21 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | Descriptor: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6VH7
 | | Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | | Descriptor: | Microtubule-associated protein tau | | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | | Deposit date: | 2020-01-09 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
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5C7X
 | | Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-06-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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6LAH
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine | | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Shima, Y, Morita, D. | | Deposit date: | 2019-11-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
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6UPY
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 2E | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2019-10-18 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y7M
 | | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Hilgenfeld, R. | | Deposit date: | 2020-03-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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6Y3U
 | | Crystal structure of PPARgamma in complex with compound (R)-16 | | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-18 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
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6UPH
 | | Structure of a Yeast Centromeric Nucleosome at 2.7 Angstrom resolution | | Descriptor: | DNA (119-MER), Histone H2A, Histone H2B.1, ... | | Authors: | Migl, D, Kschonsak, M, Arthur, C.P, Khin, Y, Harrison, S.C, Ciferri, C, Dimitrova, Y.N. | | Deposit date: | 2019-10-17 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryoelectron Microscopy Structure of a Yeast Centromeric Nucleosome at 2.7 angstrom Resolution.
Structure, 28, 2020
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6Y4K
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1OKL
 | | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE | | Descriptor: | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Nair, S.K, Elbaum, D, Christianson, D.W. | | Deposit date: | 1996-06-25 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor.
J.Biol.Chem., 271, 1996
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6UQ3
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 5 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2019-10-18 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LH9
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | | Descriptor: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2019-12-07 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.644 Å) | | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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5CCS
 | | Human Cyclophilin D Complexed with Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-02 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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6LHX
 | | Crystal structure of ThsA | | Descriptor: | ThsA | | Authors: | Bae, E, Ka, D, Oh, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural and functional evidence of bacterial antiphage protection by Thoeris defense system via NAD+degradation.
Nat Commun, 11, 2020
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6LAM
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylethanolamine | | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Shima, Y, Morita, D. | | Deposit date: | 2019-11-12 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
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6LB4
 | | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator | | Descriptor: | 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ... | | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
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6V55
 | | Full extracellular region of zebrafish Gpr126/Adgrg6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor G6, CALCIUM ION | | Authors: | Leon, K, Arac, D. | | Deposit date: | 2019-12-03 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis for adhesion G protein-coupled receptor Gpr126 function.
Nat Commun, 11, 2020
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6YEY
 | | Xenorhabdus nematophila XptA1 in complex with porcine mucosa heparin | | Descriptor: | A component of insecticidal toxin complex (Tc) | | Authors: | Roderer, D, Broecker, F, Sitsel, O, Kaplonek, P, Leidreiter, F, Seeberger, P.H, Raunser, S. | | Deposit date: | 2020-03-25 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Glycan-dependent cell adhesion mechanism of Tc toxins.
Nat Commun, 11, 2020
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6LB6
 | | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator | | Descriptor: | 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
To Be Published
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